#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iok s GLN 843 N 0.00 3.61 -0.24 1.09 -1.52 -1.26 -4.86 119.66 116.47 3iok s GLN 843 Ca 0.00 0.01 0.02 0.00 -1.95 0.00 0.00 55.36 53.44 3iok s GLN 843 Cb 0.00 -2.59 0.05 0.00 -0.22 0.00 0.00 33.01 30.25 3iok s GLN 843 CO 0.00 0.12 -0.13 -0.06 -0.25 0.00 0.00 175.29 174.98 3iok s PHE 844 N -2.24 3.13 -0.09 0.91 0.40 -1.26 -5.09 117.98 113.74 3iok s PHE 844 Ca 0.44 -2.09 -0.30 0.00 -0.60 0.00 0.00 56.93 54.39 3iok s PHE 844 Cb -0.10 -1.94 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 3iok s PHE 844 CO 0.33 -0.85 1.08 -1.21 0.70 0.00 0.00 175.22 175.27 3iok s GLU 845 N 1.17 4.39 0.44 0.44 2.02 -1.26 -4.63 118.70 121.27 3iok s GLU 845 Ca -0.05 1.50 0.11 0.00 0.02 0.00 0.00 54.97 56.55 3iok s GLU 845 Cb -0.18 -3.55 0.98 0.00 0.10 0.00 0.00 34.13 31.48 3iok s GLU 845 CO -0.07 -0.37 2.05 1.49 0.02 0.00 0.00 175.26 178.38 3iok h GLU 846 N 7.23 0.41 0.00 1.61 4.22 -1.97 -1.63 114.58 124.46 3iok h GLU 846 Ca -0.32 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.07 3iok h GLU 846 Cb 1.15 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3iok h GLU 846 CO 0.87 0.27 -0.14 0.07 -2.18 0.00 0.00 179.01 177.90 3iok h ARG 847 N 0.42 0.00 -0.02 1.92 0.11 -1.99 -2.70 114.38 112.12 3iok h ARG 847 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 3iok h ARG 847 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 3iok h ARG 847 CO -0.04 0.14 -0.18 0.72 0.10 0.00 0.00 179.97 180.72 3iok n HIS 848 N -3.71 0.00 -2.61 4.08 8.25 -0.62 -4.81 115.22 115.81 3iok n HIS 848 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.01 3iok n HIS 848 Cb 0.26 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 3iok n HIS 848 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3iok s LEU 849 N -2.23 3.68 -0.30 2.41 1.43 -1.02 -0.84 118.68 121.80 3iok s LEU 849 Ca 0.27 0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 53.80 3iok s LEU 849 Cb 0.20 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.84 3iok s LEU 849 CO 0.43 -1.19 0.30 -0.54 0.23 0.00 0.00 176.35 175.57 3iok s LYS 850 N 4.33 3.79 0.31 1.70 1.02 0.47 -4.93 119.74 126.43 3iok s LYS 850 Ca 0.48 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.88 3iok s LYS 850 Cb -0.08 -3.72 -0.12 0.00 -0.52 0.00 0.00 37.83 33.39 3iok s LYS 850 CO 0.29 -0.35 1.56 0.34 -0.92 0.00 0.00 175.35 176.27 3iok n PHE 851 N 5.24 2.85 0.00 3.18 7.35 -1.26 -0.44 117.46 134.38 3iok n PHE 851 Ca -0.11 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 56.89 3iok n PHE 851 Cb 0.51 -2.57 0.00 0.00 0.35 0.00 0.00 39.48 37.76 3iok n PHE 851 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3iok n LEU 852 N 1.76 0.91 -3.60 -2.13 4.77 0.09 -4.85 117.00 113.95 3iok n LEU 852 Ca 0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 3iok n LEU 852 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 3iok n LEU 852 CO 0.64 0.15 0.57 -1.58 -1.33 0.00 0.00 177.39 175.83 3iok s GLN 853 N -2.00 0.76 0.13 3.23 0.74 -1.03 -5.01 119.66 116.49 3iok s GLN 853 Ca 0.00 0.57 -0.30 0.00 0.05 0.00 0.00 55.36 55.67 3iok s GLN 853 Cb 0.00 0.37 -0.07 0.00 1.10 0.00 0.00 33.01 34.41 3iok s GLN 853 CO 0.00 -0.16 1.12 -1.14 -0.55 0.00 0.00 175.29 174.56 3iok s GLN 854 N -0.30 4.54 -0.24 1.67 0.74 -1.26 0.11 119.66 124.91 3iok s GLN 854 Ca -0.02 1.71 0.04 0.00 0.05 0.00 0.00 55.36 57.14 3iok s GLN 854 Cb -0.03 -3.31 -0.17 0.00 1.10 0.00 0.00 33.01 30.59 3iok s GLN 854 CO 0.01 -0.04 -0.18 1.28 -0.55 0.00 0.00 175.29 175.81 3iok n LEU 855 N 2.98 2.58 0.00 3.68 4.77 0.24 -4.85 117.00 126.40 3iok n LEU 855 Ca 0.05 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3iok n LEU 855 Cb 0.47 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3iok n LEU 855 CO 0.54 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.07 3iok n GLY 856 N 2.24 1.01 3.47 -0.72 0.00 -1.05 -5.01 105.19 105.12 3iok n GLY 856 Ca -0.42 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 3iok n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iok s LYS 857 N -2.00 1.68 0.07 1.61 -0.14 -1.26 -0.95 119.74 118.76 3iok s LYS 857 Ca 0.00 -1.38 0.00 0.00 -1.36 0.00 0.00 55.97 53.23 3iok s LYS 857 Cb 0.00 -1.97 0.00 0.00 -1.68 0.00 0.00 37.83 34.18 3iok s LYS 857 CO 0.00 0.43 0.00 0.41 -0.76 0.00 0.00 175.35 175.43 3iok n GLY 858 N 0.38 -0.13 0.00 -3.33 0.00 -1.26 -5.00 105.19 95.85 3iok n GLY 858 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3iok n GLY 858 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iok n GLY 861 N 2.25 -0.20 3.53 -0.02 0.00 -1.26 -5.14 105.19 104.34 3iok n GLY 861 Ca 0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 3iok n GLY 861 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iok s SER 862 N -2.94 3.97 -0.09 1.61 1.04 -0.11 -4.85 113.70 112.33 3iok s SER 862 Ca 0.00 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.70 3iok s SER 862 Cb 0.00 -0.54 0.01 0.00 0.10 0.00 0.00 66.02 65.59 3iok s SER 862 CO 0.00 0.07 -0.18 -0.69 0.98 0.00 0.00 173.24 173.42 3iok s VAL 863 N -1.99 1.65 0.08 5.02 1.01 -0.12 -1.61 120.40 124.44 3iok s VAL 863 Ca 0.26 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.55 3iok s VAL 863 Cb -0.07 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 3iok s VAL 863 CO 0.15 0.47 -0.21 -1.61 0.00 0.00 0.00 175.10 173.90 3iok s GLU 864 N 0.61 1.22 -0.13 2.72 2.02 0.08 -0.59 118.70 124.63 3iok s GLU 864 Ca -0.14 -1.07 -0.23 0.00 0.02 0.00 0.00 54.97 53.55 3iok s GLU 864 Cb -0.16 -1.43 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 3iok s GLU 864 CO 0.04 0.34 0.71 1.41 0.02 0.00 0.00 175.26 177.79 3iok s MET 865 N -1.60 4.34 0.05 1.61 -2.45 0.12 -0.70 119.30 120.66 3iok s MET 865 Ca 0.07 0.83 0.02 0.00 -1.25 0.00 0.00 55.69 55.36 3iok s MET 865 Cb -0.09 -3.51 -0.03 0.00 1.25 0.00 0.00 34.83 32.45 3iok s MET 865 CO 0.03 -0.10 -0.08 0.00 1.05 0.00 0.00 175.02 175.92 3iok s ARG 867 N -1.73 3.91 -0.74 0.00 3.52 0.42 -0.04 118.95 124.29 3iok s ARG 867 Ca -0.09 -0.34 -0.26 0.00 -0.13 0.00 0.00 55.73 54.91 3iok s ARG 867 Cb -0.09 -3.57 0.04 0.00 -1.56 0.00 0.00 34.95 29.76 3iok s ARG 867 CO 0.00 -0.14 1.23 -0.47 -0.81 0.00 0.00 175.30 175.10 3iok s TYR 868 N 1.62 2.37 -0.60 5.12 5.04 0.85 -0.40 117.35 131.35 3iok s TYR 868 Ca 0.07 -0.18 0.06 0.00 -2.44 0.00 0.00 57.07 54.58 3iok s TYR 868 Cb -0.15 -4.57 0.24 0.00 0.35 0.00 0.00 41.96 37.83 3iok s TYR 868 CO 0.09 -1.99 0.67 -3.47 -1.34 0.00 0.00 175.55 169.51 3iok n ASP 869 N 9.03 2.94 0.26 4.32 2.03 -0.02 -2.89 116.55 132.22 3iok n ASP 869 Ca 0.03 -3.26 0.15 0.00 0.52 0.00 0.00 54.79 52.23 3iok n ASP 869 Cb 0.48 -0.67 0.60 0.00 -0.72 0.00 0.00 41.12 40.82 3iok n ASP 869 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3iok h PRO 870 N 4.31 0.00 -0.00 -0.67 0.13 -1.92 -2.31 132.00 131.54 3iok h PRO 870 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3iok h PRO 870 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3iok h PRO 870 CO 0.75 0.05 -0.01 1.28 -0.23 0.00 0.00 178.00 179.83 3iok n LEU 871 N -3.15 0.01 -2.62 1.56 7.99 -1.26 -4.93 117.00 114.60 3iok n LEU 871 Ca 0.01 0.38 -0.19 0.00 -0.01 0.00 0.00 56.01 56.20 3iok n LEU 871 Cb 0.35 -0.39 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 3iok n LEU 871 CO 0.29 0.00 -0.16 0.00 -1.51 0.00 0.00 177.39 176.01 3iok n GLN 872 N -1.39 -2.63 -0.76 3.23 6.02 -0.87 -4.85 117.38 116.13 3iok n GLN 872 Ca 0.11 0.81 0.05 0.00 -0.01 0.00 0.00 57.00 57.96 3iok n GLN 872 Cb 0.29 -5.49 0.12 0.00 1.02 0.00 0.00 30.24 26.18 3iok n GLN 872 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3iok n ASP 873 N -2.07 1.44 -1.49 1.08 5.68 -1.26 -5.00 116.55 114.93 3iok n ASP 873 Ca -0.17 -3.05 -0.15 0.00 -0.50 0.00 0.00 54.79 50.91 3iok n ASP 873 Cb 0.64 -0.42 -0.06 0.00 -1.14 0.00 0.00 41.12 40.14 3iok n ASP 873 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3iok n ASN 874 N -0.60 -4.10 -0.86 -1.12 4.13 -1.26 -4.82 115.26 106.62 3iok n ASN 874 Ca 0.13 0.37 0.10 0.00 1.68 0.00 0.00 54.58 56.86 3iok n ASN 874 Cb 0.81 -3.74 0.11 0.00 -1.54 0.00 0.00 39.78 35.43 3iok n ASN 874 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3iok n THR 875 N -2.09 0.14 -0.91 3.41 -2.24 -1.26 -5.02 114.28 106.31 3iok n THR 875 Ca -0.16 -0.57 -0.29 0.00 -2.27 0.00 0.00 64.05 60.76 3iok n THR 875 Cb 0.51 1.29 0.22 0.00 -2.10 0.00 0.00 70.33 70.26 3iok n THR 875 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3iok s GLY 876 N -1.59 1.54 0.19 3.38 0.00 -1.26 -4.97 107.32 104.60 3iok s GLY 876 Ca 0.26 -0.49 -0.30 0.00 0.00 0.00 0.00 44.72 44.19 3iok s GLY 876 CO 0.26 0.26 1.14 1.85 0.00 0.00 0.00 173.10 176.61 3iok s GLU 877 N -4.93 4.55 -0.15 2.90 2.12 -1.14 -4.70 118.70 117.35 3iok s GLU 877 Ca 0.68 1.79 -0.27 0.00 0.36 0.00 0.00 54.97 57.53 3iok s GLU 877 Cb -0.18 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 30.94 3iok s GLU 877 CO 0.59 0.01 0.92 0.08 -0.54 0.00 0.00 175.26 176.33 3iok s VAL 878 N -0.22 4.82 0.28 3.70 1.01 -1.26 -0.11 120.40 128.62 3iok s VAL 878 Ca 0.50 1.84 0.05 0.00 0.00 0.00 0.00 61.98 64.37 3iok s VAL 878 Cb -0.31 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 3iok s VAL 878 CO 0.36 0.00 0.00 0.68 0.00 0.00 0.00 175.10 176.15 3iok s VAL 879 N 2.16 1.29 -0.13 2.92 -7.23 0.94 -4.15 120.40 116.20 3iok s VAL 879 Ca 0.43 -2.05 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 3iok s VAL 879 Cb -0.17 -2.55 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 3iok s VAL 879 CO 0.14 -0.20 0.08 0.00 -0.31 0.00 0.00 175.10 174.82 3iok s ALA 880 N -3.24 3.58 -0.13 1.32 0.00 -0.41 -1.22 121.76 121.66 3iok s ALA 880 Ca 0.32 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.58 3iok s ALA 880 Cb 0.06 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.35 3iok s ALA 880 CO 0.12 0.45 -0.16 0.08 0.00 0.00 0.00 175.76 176.26 3iok s VAL 881 N -0.50 1.60 -0.19 0.00 1.01 0.13 -0.40 120.40 122.05 3iok s VAL 881 Ca 0.11 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3iok s VAL 881 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3iok s VAL 881 CO 0.02 0.46 0.03 -0.75 0.00 0.00 0.00 175.10 174.86 3iok s LYS 882 N 1.14 3.81 0.15 2.72 2.20 0.26 -0.75 119.74 129.27 3iok s LYS 882 Ca -0.03 -0.43 0.02 0.00 -0.36 0.00 0.00 55.97 55.17 3iok s LYS 882 Cb -0.14 -3.13 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 3iok s LYS 882 CO -0.05 0.17 -0.03 -1.59 -0.36 0.00 0.00 175.35 173.49 3iok s LYS 883 N 0.61 1.03 0.18 4.03 -2.85 -0.63 -0.96 119.74 121.15 3iok s LYS 883 Ca 0.01 -1.47 -0.28 0.00 -1.00 0.00 0.00 55.97 53.23 3iok s LYS 883 Cb -0.14 -0.31 -0.08 0.00 -2.06 0.00 0.00 37.83 35.24 3iok s LYS 883 CO 0.02 -0.06 0.88 -0.51 0.10 0.00 0.00 175.35 175.78 3iok s LEU 884 N -3.14 4.60 0.06 2.77 1.43 -1.26 -0.93 118.68 122.21 3iok s LEU 884 Ca 0.19 1.80 -0.16 0.00 -1.03 0.00 0.00 54.13 54.94 3iok s LEU 884 Cb 0.05 -3.49 -0.18 0.00 0.03 0.00 0.00 46.19 42.60 3iok s LEU 884 CO 0.01 0.13 1.24 -0.61 0.23 0.00 0.00 176.35 177.35 3iok h GLN 885 N 4.54 0.63 -3.07 1.70 4.15 -1.94 -3.40 115.11 117.72 3iok h GLN 885 Ca -0.45 -0.54 -0.62 0.00 0.77 0.00 0.00 58.65 57.81 3iok h GLN 885 Cb 1.20 0.12 -0.41 0.00 0.21 0.00 0.00 27.48 28.61 3iok h GLN 885 CO 0.68 1.16 -0.67 -1.01 -1.93 0.00 0.00 178.83 177.06 3iok s HIS 886 N -3.63 2.82 -1.42 3.99 3.76 -1.26 -5.04 115.29 114.51 3iok s HIS 886 Ca -0.12 -2.97 -0.14 0.00 -0.15 0.00 0.00 55.06 51.68 3iok s HIS 886 Cb 0.07 -2.35 0.06 0.00 1.11 0.00 0.00 32.58 31.46 3iok s HIS 886 CO 0.86 -0.69 2.12 -1.13 -0.85 0.00 0.00 174.74 175.06 3iok n SER 887 N 2.75 4.14 -4.17 1.40 3.41 -1.26 -4.84 113.62 115.06 3iok n SER 887 Ca 0.14 -2.87 -0.29 0.00 -0.26 0.00 0.00 58.87 55.59 3iok n SER 887 Cb 0.35 -1.66 0.18 0.00 -0.26 0.00 0.00 64.21 62.83 3iok n SER 887 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3iok s THR 888 N 3.11 2.01 0.18 6.66 -4.23 -1.26 -4.82 115.64 117.28 3iok s THR 888 Ca 0.47 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.80 3iok s THR 888 Cb 0.12 -2.93 0.07 0.00 1.34 0.00 0.00 72.50 71.10 3iok s THR 888 CO -0.06 0.00 1.67 1.05 -0.54 0.00 0.00 174.62 176.74 3iok h GLU 889 N -1.52 1.03 -0.13 3.99 4.11 -1.99 -0.85 114.58 119.22 3iok h GLU 889 Ca -0.43 -0.28 -0.11 0.00 0.07 0.00 0.00 59.36 58.60 3iok h GLU 889 Cb 1.23 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3iok h GLU 889 CO 0.37 0.97 -0.37 1.49 0.07 0.00 0.00 179.01 181.54 3iok h GLU 890 N 0.93 0.47 -0.45 1.06 4.81 -1.97 -2.79 114.58 116.64 3iok h GLU 890 Ca 0.18 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3iok h GLU 890 Cb 0.45 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3iok h GLU 890 CO 0.01 0.96 0.21 0.45 -0.73 0.00 0.00 179.01 179.91 3iok h HIS 891 N 0.07 0.65 -0.96 0.92 3.86 -1.88 -1.93 115.15 115.88 3iok h HIS 891 Ca -0.01 -0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3iok h HIS 891 Cb 0.99 -0.20 -0.06 0.00 1.06 0.00 0.00 27.41 29.20 3iok h HIS 891 CO 0.11 0.53 0.63 -0.07 0.86 0.00 0.00 177.93 179.98 3iok h LEU 892 N 0.58 1.02 -0.58 2.43 3.38 -1.21 0.29 115.31 121.22 3iok h LEU 892 Ca 0.15 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 3iok h LEU 892 Cb 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3iok h LEU 892 CO -0.02 0.69 0.02 -0.09 0.09 0.00 0.00 178.44 179.13 3iok h ARG 893 N 1.18 1.02 -0.36 1.13 2.43 -1.31 -1.38 114.38 117.09 3iok h ARG 893 Ca 0.39 -0.31 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 3iok h ARG 893 Cb 0.06 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3iok h ARG 893 CO -0.13 1.00 -0.31 -0.44 -1.51 0.00 0.00 179.97 178.58 3iok h ASP 894 N 0.91 0.80 -0.41 -3.80 3.32 -0.65 -2.96 116.42 113.63 3iok h ASP 894 Ca 0.17 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 3iok h ASP 894 Cb 0.53 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3iok h ASP 894 CO 0.03 1.04 -0.18 0.15 -1.72 0.00 0.00 179.24 178.56 3iok h PHE 895 N 0.65 0.97 -0.41 4.55 3.57 -0.28 -1.78 116.94 124.21 3iok h PHE 895 Ca 0.07 -0.24 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 3iok h PHE 895 Cb 0.84 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3iok h PHE 895 CO 0.04 1.00 0.08 1.49 -2.23 0.00 0.00 178.31 178.70 3iok h GLU 896 N 0.66 0.62 -0.47 1.11 4.81 -1.27 -0.74 114.58 119.30 3iok h GLU 896 Ca 0.09 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 3iok h GLU 896 Cb 0.74 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3iok h GLU 896 CO 0.06 0.58 -0.10 0.00 -0.73 0.00 0.00 179.01 178.81 3iok h ARG 897 N 0.60 0.90 -0.66 1.92 3.08 -1.34 -1.96 114.38 116.93 3iok h ARG 897 Ca 0.14 -0.34 0.06 0.00 0.07 0.00 0.00 59.98 59.90 3iok h ARG 897 Cb 0.25 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.20 3iok h ARG 897 CO -0.00 0.99 0.37 1.49 -1.07 0.00 0.00 179.97 181.75 3iok h GLU 898 N 0.75 0.66 -0.54 0.04 4.81 -0.89 -0.25 114.58 119.16 3iok h GLU 898 Ca 0.12 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3iok h GLU 898 Cb 0.65 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3iok h GLU 898 CO 0.04 0.44 0.22 0.82 -0.73 0.00 0.00 179.01 179.81 3iok h ILE 899 N 0.68 1.22 -0.66 2.32 2.04 -0.96 -1.24 117.51 120.92 3iok h ILE 899 Ca 0.29 -0.66 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 3iok h ILE 899 Cb 0.18 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3iok h ILE 899 CO -0.18 0.25 0.23 -0.33 0.00 0.00 0.00 178.15 178.12 3iok h GLU 900 N 0.73 0.99 0.23 2.37 4.39 -1.02 -1.21 114.58 121.06 3iok h GLU 900 Ca 0.18 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3iok h GLU 900 Cb 0.18 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3iok h GLU 900 CO -0.02 0.83 -0.16 0.82 -1.16 0.00 0.00 179.01 179.32 3iok h ILE 901 N 0.96 0.65 -0.40 3.13 2.04 -0.71 -2.52 117.51 120.65 3iok h ILE 901 Ca 0.22 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.02 3iok h ILE 901 Cb 0.24 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3iok h ILE 901 CO -0.01 0.00 0.02 0.25 0.00 0.00 0.00 178.15 178.41 3iok h LEU 902 N -0.39 0.60 -1.10 1.44 5.85 -1.00 -2.40 115.31 118.30 3iok h LEU 902 Ca -0.01 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 3iok h LEU 902 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3iok h LEU 902 CO -0.00 0.65 -0.39 0.50 -0.34 0.00 0.00 178.44 178.86 3iok h LYS 903 N 0.60 0.12 0.00 1.25 3.64 -1.20 -2.41 116.57 118.58 3iok h LYS 903 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3iok h LYS 903 Cb 0.35 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3iok h LYS 903 CO 0.01 0.49 0.00 -1.13 -2.27 0.00 0.00 179.45 176.55 3iok n SER 904 N -4.06 0.00 -4.58 4.20 3.41 -0.91 -4.79 113.62 106.89 3iok n SER 904 Ca -0.02 0.38 -0.35 0.00 -0.26 0.00 0.00 58.87 58.62 3iok n SER 904 Cb 0.44 -0.45 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3iok n SER 904 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3iok s LEU 905 N -2.90 3.73 -0.30 1.04 1.43 -0.91 -5.06 118.68 115.72 3iok s LEU 905 Ca 0.13 0.00 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 3iok s LEU 905 Cb 0.14 -1.96 0.10 0.00 0.03 0.00 0.00 46.19 44.50 3iok s LEU 905 CO 0.38 0.11 0.12 0.00 0.23 0.00 0.00 176.35 177.19 3iok s GLN 906 N 0.76 0.35 -0.06 1.70 0.00 -1.26 -4.83 119.66 116.31 3iok s GLN 906 Ca 0.04 -0.70 -0.16 0.00 -0.00 0.00 0.00 55.36 54.54 3iok s GLN 906 Cb -0.13 -1.40 0.03 0.00 0.00 0.00 0.00 33.01 31.51 3iok s GLN 906 CO 0.02 -1.01 0.38 -1.58 0.00 0.00 0.00 175.29 173.10 3iok s HIS 907 N 1.95 -0.32 0.61 9.60 2.46 -1.26 -5.04 115.29 123.29 3iok s HIS 907 Ca 0.09 0.62 0.31 0.00 0.47 0.00 0.00 55.06 56.55 3iok s HIS 907 Cb -0.16 0.15 1.78 0.00 -0.13 0.00 0.00 32.58 34.21 3iok s HIS 907 CO -0.33 -0.36 2.14 -0.44 -2.47 0.00 0.00 174.74 173.28 3iok h ASP 908 N 4.28 0.00 -0.30 9.88 3.45 -1.99 -2.07 116.42 129.67 3iok h ASP 908 Ca -0.28 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.07 3iok h ASP 908 Cb 1.17 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.88 3iok h ASP 908 CO 0.35 0.00 -0.04 0.59 -1.57 0.00 0.00 179.24 178.57 3iok n ASN 909 N -3.64 2.93 -4.02 6.45 4.13 -1.26 -4.83 115.26 115.02 3iok n ASN 909 Ca 0.00 -3.48 -0.26 0.00 1.68 0.00 0.00 54.58 52.52 3iok n ASN 909 Cb 0.26 -0.59 -0.17 0.00 -1.54 0.00 0.00 39.78 37.74 3iok n ASN 909 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3iok s ILE 910 N -3.09 1.25 0.35 2.41 -1.09 -0.78 -0.50 121.20 119.75 3iok s ILE 910 Ca 0.43 -0.52 -0.27 0.00 -2.23 0.00 0.00 60.65 58.07 3iok s ILE 910 Cb 0.38 -1.15 -0.12 0.00 -1.58 0.00 0.00 42.46 39.98 3iok s ILE 910 CO 0.03 0.39 1.06 0.55 -1.23 0.00 0.00 174.94 175.74 3iok n VAL 911 N 4.05 2.14 -2.78 2.92 3.14 -0.58 -4.57 118.33 122.66 3iok n VAL 911 Ca -0.20 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.26 3iok n VAL 911 Cb 0.51 -1.17 -0.03 0.00 -1.06 0.00 0.00 33.84 32.09 3iok n VAL 911 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3iok s LYS 912 N -1.78 4.55 0.17 1.45 1.02 -1.26 -4.99 119.74 118.90 3iok s LYS 912 Ca 0.59 1.32 -0.30 0.00 0.02 0.00 0.00 55.97 57.61 3iok s LYS 912 Cb -0.62 -3.45 -0.07 0.00 -0.52 0.00 0.00 37.83 33.17 3iok s LYS 912 CO 0.59 -0.00 1.11 -0.47 -0.92 0.00 0.00 175.35 175.66 3iok s TYR 913 N 0.87 3.58 -0.11 3.18 5.04 -1.26 -2.27 117.35 126.38 3iok s TYR 913 Ca 0.49 1.58 0.02 0.00 -2.44 0.00 0.00 57.07 56.72 3iok s TYR 913 Cb -0.21 -3.28 -0.07 0.00 0.35 0.00 0.00 41.96 38.75 3iok s TYR 913 CO 0.26 -0.64 -0.08 1.63 -1.34 0.00 0.00 175.55 175.38 3iok n LYS 914 N 2.47 0.52 -3.67 4.97 5.02 0.43 -4.87 118.16 123.02 3iok n LYS 914 Ca 0.03 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 3iok n LYS 914 Cb 0.46 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.25 3iok n LYS 914 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iok n GLY 915 N 2.93 -1.21 3.01 0.72 0.00 -1.01 -4.87 105.19 104.76 3iok n GLY 915 Ca -0.19 -1.07 -0.16 0.00 0.00 0.00 0.00 46.02 44.61 3iok n GLY 915 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iok s VAL 916 N -3.00 0.56 -0.24 1.61 1.01 -1.26 -0.83 120.40 118.25 3iok s VAL 916 Ca 0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3iok s VAL 916 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 3iok s VAL 916 CO 0.00 -0.03 0.07 0.00 0.00 0.00 0.00 175.10 175.15 3iok s TYR 918 N 1.40 3.63 0.01 0.00 2.02 -1.26 -1.76 117.35 121.39 3iok s TYR 918 Ca 0.05 0.63 -0.00 0.00 -0.37 0.00 0.00 57.07 57.38 3iok s TYR 918 Cb -0.15 -2.02 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 3iok s TYR 918 CO 0.04 0.71 0.10 -1.54 -1.57 0.00 0.00 175.55 173.29 3iok s SER 919 N -1.11 5.79 0.53 2.29 1.04 -0.96 -4.84 113.70 116.44 3iok s SER 919 Ca 0.18 0.16 -0.21 0.00 0.48 0.00 0.00 55.95 56.56 3iok s SER 919 Cb -0.13 -1.68 -0.05 0.00 0.10 0.00 0.00 66.02 64.26 3iok s SER 919 CO 0.07 0.25 1.26 0.00 0.98 0.00 0.00 173.24 175.80 3iok s ALA 920 N -1.26 2.78 0.00 5.32 0.00 -1.26 -3.36 121.76 123.98 3iok s ALA 920 Ca 0.25 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.34 3iok s ALA 920 Cb -0.12 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3iok s ALA 920 CO 0.17 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.22 3iok n GLY 921 N 0.59 2.04 0.22 0.00 0.00 -1.26 -4.16 105.19 102.63 3iok n GLY 921 Ca 0.10 -0.11 0.15 0.00 0.00 0.00 0.00 46.02 46.17 3iok n GLY 921 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3iok h ARG 922 N 0.00 0.00 -4.69 1.61 0.11 -2.05 -3.46 114.38 105.90 3iok h ARG 922 Ca 0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 3iok h ARG 922 Cb 0.00 0.00 0.14 0.00 1.11 0.00 0.00 29.97 31.22 3iok h ARG 922 CO 0.00 0.00 -0.59 -2.13 0.10 0.00 0.00 179.97 177.35 3iok n ARG 923 N -2.59 -1.95 -2.48 0.08 0.63 -1.21 -5.03 116.66 104.10 3iok n ARG 923 Ca -0.01 0.60 -0.32 0.00 -0.92 0.00 0.00 57.85 57.20 3iok n ARG 923 Cb 0.10 -4.56 -0.04 0.00 0.45 0.00 0.00 32.46 28.41 3iok n ARG 923 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 3iok s ASN 924 N -3.36 6.63 -0.04 6.15 3.04 -1.26 -4.88 114.94 121.22 3iok s ASN 924 Ca 0.28 1.63 0.05 0.00 0.04 0.00 0.00 52.86 54.86 3iok s ASN 924 Cb -0.04 -2.52 -0.01 0.00 -1.54 0.00 0.00 41.25 37.15 3iok s ASN 924 CO 0.51 -0.58 -0.19 -0.76 -3.04 0.00 0.00 177.10 173.04 3iok s LEU 925 N -3.86 1.96 -0.14 3.21 1.43 -1.26 -2.27 118.68 117.75 3iok s LEU 925 Ca 0.60 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3iok s LEU 925 Cb -0.10 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.05 3iok s LEU 925 CO 0.27 0.18 -0.11 -0.54 0.23 0.00 0.00 176.35 176.38 3iok s LYS 926 N -0.06 3.45 -0.23 1.70 1.02 -0.72 -4.45 119.74 120.46 3iok s LYS 926 Ca -0.02 -0.65 -0.14 0.00 0.02 0.00 0.00 55.97 55.18 3iok s LYS 926 Cb -0.11 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 3iok s LYS 926 CO 0.02 0.21 0.33 -1.17 -0.92 0.00 0.00 175.35 173.82 3iok s LEU 927 N 0.37 4.11 -0.23 3.17 2.96 -0.13 -0.58 118.68 128.35 3iok s LEU 927 Ca -0.09 0.35 -0.09 0.00 -0.22 0.00 0.00 54.13 54.07 3iok s LEU 927 Cb -0.15 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 3iok s LEU 927 CO 0.05 -0.07 0.13 -0.63 -1.32 0.00 0.00 176.35 174.50 3iok s ILE 928 N 1.46 5.07 0.23 6.68 -1.09 -0.01 -0.58 121.20 132.97 3iok s ILE 928 Ca 0.15 0.08 0.05 0.00 -2.23 0.00 0.00 60.65 58.70 3iok s ILE 928 Cb -0.15 -3.35 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 3iok s ILE 928 CO 0.08 0.37 -0.06 -0.04 -1.23 0.00 0.00 174.94 174.05 3iok s MET 929 N 1.00 1.38 0.41 2.79 -1.94 0.47 -0.43 119.30 122.97 3iok s MET 929 Ca 0.06 -1.67 -0.26 0.00 -1.71 0.00 0.00 55.69 52.11 3iok s MET 929 Cb -0.14 -0.90 -0.10 0.00 2.01 0.00 0.00 34.83 35.71 3iok s MET 929 CO 0.04 0.02 1.33 -0.85 -0.01 0.00 0.00 175.02 175.55 3iok n GLU 930 N -0.44 2.11 -2.88 2.03 0.28 -0.96 -1.29 120.64 119.48 3iok n GLU 930 Ca -0.06 0.75 -0.42 0.00 -0.16 0.00 0.00 57.16 57.27 3iok n GLU 930 Cb 0.63 -2.45 -0.04 0.00 1.43 0.00 0.00 31.44 31.00 3iok n GLU 930 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3iok s TYR 931 N -1.17 3.36 -0.48 -1.84 5.04 -1.26 -4.27 117.35 116.73 3iok s TYR 931 Ca 0.59 1.20 -0.15 0.00 -2.44 0.00 0.00 57.07 56.27 3iok s TYR 931 Cb -0.50 -3.04 0.09 0.00 0.35 0.00 0.00 41.96 38.85 3iok s TYR 931 CO 0.59 -0.33 0.41 -0.51 -1.34 0.00 0.00 175.55 174.37 3iok s LEU 932 N 2.54 5.73 0.42 6.97 1.43 -1.26 -4.98 118.68 129.52 3iok s LEU 932 Ca 0.37 -1.45 0.29 0.00 -1.03 0.00 0.00 54.13 52.31 3iok s LEU 932 Cb -0.16 -2.18 1.27 0.00 0.03 0.00 0.00 46.19 45.16 3iok s LEU 932 CO 0.09 -0.69 1.88 1.55 0.23 0.00 0.00 176.35 179.41 3iok h PRO 933 N 8.76 0.00 -0.01 1.29 0.13 -1.74 -2.32 132.00 138.11 3iok h PRO 933 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3iok h PRO 933 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3iok h PRO 933 CO 0.91 0.00 -0.04 0.66 -0.23 0.00 0.00 178.00 179.30 3iok n TYR 934 N -2.66 0.00 -4.21 1.56 0.53 -0.96 -5.05 117.16 106.38 3iok n TYR 934 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.89 3iok n TYR 934 Cb 0.23 -0.02 0.00 0.00 -1.03 0.00 0.00 39.34 38.52 3iok n TYR 934 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3iok n GLY 935 N 1.18 -0.62 3.76 2.72 0.00 -0.87 -4.68 105.19 106.68 3iok n GLY 935 Ca 0.19 -1.13 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 3iok n GLY 935 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iok s SER 936 N -4.00 6.93 0.26 1.61 1.04 -1.26 -0.07 113.70 118.21 3iok s SER 936 Ca 0.00 2.53 -0.03 0.00 0.48 0.00 0.00 55.95 58.94 3iok s SER 936 Cb 0.00 -2.64 0.42 0.00 0.10 0.00 0.00 66.02 63.90 3iok s SER 936 CO 0.00 -0.42 1.85 0.25 0.98 0.00 0.00 173.24 175.90 3iok h LEU 937 N 3.78 0.91 -0.50 2.42 5.85 -1.16 -0.61 115.31 126.00 3iok h LEU 937 Ca -0.48 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.35 3iok h LEU 937 Cb 1.22 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.02 3iok h LEU 937 CO 0.67 0.55 0.10 -0.09 -0.34 0.00 0.00 178.44 179.34 3iok h ARG 938 N 1.03 0.23 -0.02 1.25 2.43 -1.79 0.16 114.38 117.67 3iok h ARG 938 Ca 0.43 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 59.32 3iok h ARG 938 Cb 0.27 -0.05 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3iok h ARG 938 CO -0.21 0.16 -1.01 -0.44 -1.51 0.00 0.00 179.97 176.96 3iok h ASP 939 N 0.24 0.91 -0.81 -3.80 3.32 -1.86 -2.85 116.42 111.57 3iok h ASP 939 Ca 0.25 -0.71 0.06 0.00 0.02 0.00 0.00 57.03 56.65 3iok h ASP 939 Cb 0.34 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.55 3iok h ASP 939 CO -0.33 1.51 0.49 0.22 -1.72 0.00 0.00 179.24 179.42 3iok h TYR 940 N 0.41 0.91 0.01 4.55 3.20 -0.63 -0.75 116.97 124.68 3iok h TYR 940 Ca -0.12 0.03 -0.20 0.00 3.14 0.00 0.00 58.73 61.58 3iok h TYR 940 Cb 1.66 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.62 3iok h TYR 940 CO 0.10 0.46 -0.93 1.25 -1.64 0.00 0.00 178.16 177.40 3iok h LEU 941 N 0.90 0.10 -0.98 2.82 6.46 -0.78 -2.57 115.31 121.26 3iok h LEU 941 Ca 0.35 -0.09 -0.09 0.00 -0.12 0.00 0.00 57.88 57.93 3iok h LEU 941 Cb 0.16 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 3iok h LEU 941 CO -0.17 0.97 -0.45 -0.61 -0.62 0.00 0.00 178.44 177.56 3iok h GLN 942 N 0.03 0.00 0.05 1.25 4.15 -1.23 -0.06 115.11 119.31 3iok h GLN 942 Ca -0.03 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.11 3iok h GLN 942 Cb 1.61 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 29.27 3iok h GLN 942 CO 0.13 0.45 -1.49 -0.22 -1.93 0.00 0.00 178.83 175.77 3iok h LYS 943 N 0.00 0.11 -0.26 1.69 3.64 -1.07 -3.36 116.57 117.32 3iok h LYS 943 Ca -0.00 -0.19 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3iok h LYS 943 Cb 0.90 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3iok h LYS 943 CO 0.06 0.89 0.00 0.72 -2.27 0.00 0.00 179.45 178.85 3iok n HIS 944 N -3.30 0.34 0.00 1.91 8.25 -0.98 -5.05 115.22 116.40 3iok n HIS 944 Ca -0.13 -0.38 0.00 0.00 -0.26 0.00 0.00 57.72 56.95 3iok n HIS 944 Cb 1.02 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.11 3iok n HIS 944 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3iok n LYS 945 N 0.52 0.00 0.00 -0.41 4.76 -0.04 -1.03 118.16 121.96 3iok n LYS 945 Ca 0.10 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.69 3iok n LYS 945 Cb 0.39 0.00 0.74 0.00 -1.84 0.00 0.00 35.03 34.31 3iok n LYS 945 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3iok n GLU 946 N 0.00 0.63 0.00 1.97 1.02 -1.26 -2.88 120.64 120.11 3iok n GLU 946 Ca 0.00 -0.09 0.04 0.00 -0.02 0.00 0.00 57.16 57.09 3iok n GLU 946 Cb 0.00 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.12 3iok n GLU 946 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3iok n ARG 947 N -1.10 0.04 -3.43 3.49 1.74 -0.20 -3.88 116.66 113.31 3iok n ARG 947 Ca 0.16 0.31 -0.44 0.00 -0.77 0.00 0.00 57.85 57.11 3iok n ARG 947 Cb 0.23 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 30.09 3iok n ARG 947 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3iok s ILE 948 N -2.88 5.18 0.89 0.55 -1.09 -1.14 -5.09 121.20 117.62 3iok s ILE 948 Ca 0.05 -0.92 -0.14 0.00 -2.23 0.00 0.00 60.65 57.42 3iok s ILE 948 Cb 0.06 -4.02 0.13 0.00 -1.58 0.00 0.00 42.46 37.06 3iok s ILE 948 CO 0.15 -0.47 1.21 1.51 -1.23 0.00 0.00 174.94 176.12 3iok s ASP 949 N 2.21 3.77 0.40 3.58 3.84 -1.25 -4.82 116.67 124.41 3iok s ASP 949 Ca 0.04 0.65 0.10 0.00 -0.00 0.00 0.00 52.55 53.34 3iok s ASP 949 Cb -0.22 -1.00 0.91 0.00 -1.38 0.00 0.00 42.92 41.22 3iok s ASP 949 CO 0.08 -2.36 1.97 0.45 -0.00 0.00 0.00 175.17 175.32 3iok h HIS 950 N -1.37 0.57 -0.06 2.11 3.86 -1.98 -1.71 115.15 116.57 3iok h HIS 950 Ca -0.46 0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 58.64 3iok h HIS 950 Cb 1.30 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 3iok h HIS 950 CO -0.24 0.29 -0.52 0.82 0.86 0.00 0.00 177.93 179.13 3iok h ILE 951 N 0.55 1.36 -0.13 2.45 2.04 -1.98 0.05 117.51 121.85 3iok h ILE 951 Ca 0.28 -1.79 -0.17 0.00 1.00 0.00 0.00 64.86 64.18 3iok h ILE 951 Cb 0.40 1.90 0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3iok h ILE 951 CO -0.09 0.52 -0.59 0.50 0.00 0.00 0.00 178.15 178.50 3iok h LYS 952 N 0.12 0.63 -0.38 2.37 1.63 -1.76 -2.13 116.57 117.05 3iok h LYS 952 Ca 0.00 -0.50 -0.02 0.00 -0.85 0.00 0.00 60.65 59.28 3iok h LYS 952 Cb 0.96 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.67 3iok h LYS 952 CO 0.08 1.12 0.17 -0.07 -3.45 0.00 0.00 179.45 177.30 3iok h LEU 953 N 0.29 0.47 -0.36 5.20 3.38 -1.05 -1.05 115.31 122.19 3iok h LEU 953 Ca -0.04 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 3iok h LEU 953 Cb 1.22 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 3iok h LEU 953 CO 0.12 0.41 -0.61 -0.07 0.09 0.00 0.00 178.44 178.38 3iok h LEU 954 N 0.52 0.00 -0.53 1.67 3.38 -0.99 -0.70 115.31 118.66 3iok h LEU 954 Ca 0.13 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.00 3iok h LEU 954 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3iok h LEU 954 CO -0.02 0.61 -0.07 -0.61 0.09 0.00 0.00 178.44 178.45 3iok h GLN 955 N 0.00 0.99 -0.34 1.13 4.15 -0.65 -1.32 115.11 119.07 3iok h GLN 955 Ca -0.01 -0.35 -0.05 0.00 0.77 0.00 0.00 58.65 59.01 3iok h GLN 955 Cb 1.31 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 3iok h GLN 955 CO 0.08 1.02 -0.00 1.88 -1.93 0.00 0.00 178.83 179.88 3iok h TYR 956 N 0.86 0.65 -0.53 3.99 0.05 -1.13 -2.73 116.97 118.13 3iok h TYR 956 Ca 0.14 -0.11 0.07 0.00 0.05 0.00 0.00 58.73 58.88 3iok h TYR 956 Cb 0.62 -0.17 -0.06 0.00 1.01 0.00 0.00 36.73 38.13 3iok h TYR 956 CO 0.04 0.71 0.20 1.15 -1.05 0.00 0.00 178.16 179.22 3iok h THR 957 N 0.40 0.83 -0.86 -2.88 2.02 -1.09 -1.69 112.91 109.65 3iok h THR 957 Ca 0.09 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 3iok h THR 957 Cb 0.45 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 3iok h THR 957 CO 0.02 0.07 0.47 -1.28 0.37 0.00 0.00 175.52 175.17 3iok h SER 958 N 0.39 1.07 -0.33 4.18 0.87 -1.16 -1.14 113.55 117.43 3iok h SER 958 Ca 0.26 -0.10 -0.14 0.00 -1.23 0.00 0.00 61.79 60.58 3iok h SER 958 Cb 0.27 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3iok h SER 958 CO -0.25 0.86 -0.34 1.56 -0.53 0.00 0.00 176.83 178.13 3iok h GLN 959 N 1.19 0.80 -0.19 2.24 4.20 -1.18 -0.58 115.11 121.59 3iok h GLN 959 Ca 0.30 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 3iok h GLN 959 Cb 0.02 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 3iok h GLN 959 CO -0.05 1.06 0.11 0.82 -0.67 0.00 0.00 178.83 180.10 3iok h ILE 960 N 0.58 1.11 -0.54 2.54 2.04 -1.19 -0.91 117.51 121.13 3iok h ILE 960 Ca 0.05 -0.28 0.10 0.00 1.00 0.00 0.00 64.86 65.72 3iok h ILE 960 Cb 0.92 0.94 -0.08 0.00 -0.74 0.00 0.00 36.82 37.86 3iok h ILE 960 CO 0.08 0.10 0.11 0.00 0.00 0.00 0.00 178.15 178.45 3iok h LYS 962 N 0.25 0.70 -0.93 0.00 1.57 -0.86 -0.84 116.57 116.45 3iok h LYS 962 Ca 0.28 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 3iok h LYS 962 Cb 0.39 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3iok h LYS 962 CO -0.36 0.70 0.61 0.78 -0.57 0.00 0.00 179.45 180.61 3iok h GLY 963 N 0.58 1.33 1.14 3.86 0.00 -0.95 -2.13 103.07 106.89 3iok h GLY 963 Ca 0.14 -0.48 -0.18 0.00 0.00 0.00 0.00 47.33 46.81 3iok h GLY 963 CO 0.00 0.44 -0.51 -0.33 0.00 0.00 0.00 176.54 176.14 3iok h MET 964 N 1.22 0.90 -0.20 4.80 2.86 -1.06 -2.33 114.93 121.12 3iok h MET 964 Ca 0.35 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 3iok h MET 964 Cb -0.07 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 3iok h MET 964 CO -0.09 1.19 0.13 1.49 1.06 0.00 0.00 176.91 180.68 3iok h GLU 965 N 0.70 0.26 -0.51 1.72 4.22 -0.92 -1.34 114.58 118.71 3iok h GLU 965 Ca 0.03 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.52 3iok h GLU 965 Cb 1.11 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 3iok h GLU 965 CO 0.12 0.18 0.18 -0.92 -2.18 0.00 0.00 179.01 176.38 3iok h TYR 966 N 0.26 0.31 -1.00 0.92 3.20 -1.43 -2.09 116.97 117.14 3iok h TYR 966 Ca 0.07 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.05 3iok h TYR 966 Cb -0.02 -0.06 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 3iok h TYR 966 CO -0.06 0.09 0.64 1.25 -1.64 0.00 0.00 178.16 178.45 3iok h LEU 967 N 0.35 1.01 -1.33 2.82 5.85 -1.00 -1.79 115.31 121.22 3iok h LEU 967 Ca 0.25 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 3iok h LEU 967 Cb 0.27 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3iok h LEU 967 CO -0.26 0.61 -0.08 1.23 -0.34 0.00 0.00 178.44 179.61 3iok h GLY 968 N 1.12 0.38 2.00 3.75 0.00 -0.57 -2.27 103.07 107.48 3iok h GLY 968 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3iok h GLY 968 CO -0.20 0.21 0.00 -1.30 0.00 0.00 0.00 176.54 175.26 3iok n THR 969 N -4.28 0.85 1.11 4.70 -2.24 -0.68 -0.87 114.28 112.87 3iok n THR 969 Ca 0.00 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.17 3iok n THR 969 Cb 0.26 -1.20 0.16 0.00 -2.10 0.00 0.00 70.33 67.45 3iok n THR 969 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3iok n LYS 970 N -2.22 1.55 -2.78 -0.78 4.76 -0.90 -4.96 118.16 112.82 3iok n LYS 970 Ca 0.02 -1.19 -0.18 0.00 -2.87 0.00 0.00 58.31 54.08 3iok n LYS 970 Cb 0.21 -1.48 0.02 0.00 -1.84 0.00 0.00 35.03 31.95 3iok n LYS 970 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3iok n ARG 971 N 0.31 -3.59 -3.73 1.97 1.74 -0.05 -4.93 116.66 108.39 3iok n ARG 971 Ca 0.12 0.77 -0.36 0.00 -0.77 0.00 0.00 57.85 57.61 3iok n ARG 971 Cb 0.47 -5.29 -0.06 0.00 -1.02 0.00 0.00 32.46 26.57 3iok n ARG 971 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3iok s TYR 972 N -3.03 3.62 -0.22 -1.55 2.02 -0.96 -1.72 117.35 115.51 3iok s TYR 972 Ca 0.21 0.66 -0.03 0.00 -0.37 0.00 0.00 57.07 57.54 3iok s TYR 972 Cb -0.09 -2.05 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 3iok s TYR 972 CO 0.25 0.66 -0.07 0.42 -1.57 0.00 0.00 175.55 175.24 3iok s ILE 973 N -1.17 3.12 0.05 2.71 -1.09 -0.13 -4.23 121.20 120.47 3iok s ILE 973 Ca 0.23 -0.62 -0.19 0.00 -2.23 0.00 0.00 60.65 57.84 3iok s ILE 973 Cb -0.14 -2.43 -0.13 0.00 -1.58 0.00 0.00 42.46 38.19 3iok s ILE 973 CO 0.12 0.41 1.37 -0.74 -1.23 0.00 0.00 174.94 174.87 3iok h HIS 974 N 8.08 0.50 0.00 3.97 2.76 -1.90 -1.05 115.15 127.51 3iok h HIS 974 Ca -0.41 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 57.62 3iok h HIS 974 Cb 1.15 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.00 3iok h HIS 974 CO 0.57 0.77 0.00 0.54 -1.30 0.00 0.00 177.93 178.51 3iok n ARG 975 N -4.52 0.00 -1.96 5.26 1.74 -1.26 -3.11 116.66 112.81 3iok n ARG 975 Ca -0.05 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3iok n ARG 975 Cb 0.37 -2.17 0.05 0.00 -1.02 0.00 0.00 32.46 29.69 3iok n ARG 975 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iok n ASP 976 N 0.00 1.72 -4.65 0.55 2.03 -1.26 -4.89 116.55 110.04 3iok n ASP 976 Ca 0.00 -2.41 -0.43 0.00 0.52 0.00 0.00 54.79 52.47 3iok n ASP 976 Cb 0.00 -0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 3iok n ASP 976 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3iok s LEU 977 N -2.19 4.13 -0.12 -2.67 0.20 -1.26 -4.77 118.68 111.99 3iok s LEU 977 Ca 0.34 1.94 -0.30 0.00 0.69 0.00 0.00 54.13 56.79 3iok s LEU 977 Cb 0.36 -3.53 0.12 0.00 -0.43 0.00 0.00 46.19 42.71 3iok s LEU 977 CO -0.09 -1.05 0.99 0.00 -0.29 0.00 0.00 176.35 175.92 3iok s ALA 978 N 4.50 -1.92 0.61 5.97 0.00 -1.26 -4.72 121.76 124.93 3iok s ALA 978 Ca 0.71 1.44 0.31 0.00 0.00 0.00 0.00 51.96 54.42 3iok s ALA 978 Cb -0.29 -0.36 1.75 0.00 0.00 0.00 0.00 23.12 24.22 3iok s ALA 978 CO 0.28 -0.44 2.09 1.79 0.00 0.00 0.00 175.76 179.48 3iok h THR 979 N 2.34 0.32 0.00 0.00 1.35 -1.92 0.18 112.91 115.18 3iok h THR 979 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 3iok h THR 979 Cb 1.19 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3iok h THR 979 CO 0.30 0.00 0.00 -2.11 -0.25 0.00 0.00 175.52 173.46 3iok n ARG 980 N -3.54 0.11 -0.25 4.72 1.85 -1.26 -2.38 116.66 115.91 3iok n ARG 980 Ca 0.01 0.39 0.07 0.00 -1.00 0.00 0.00 57.85 57.31 3iok n ARG 980 Cb 0.32 -1.73 0.18 0.00 -1.05 0.00 0.00 32.46 30.18 3iok n ARG 980 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3iok n ASN 981 N -1.94 3.15 -4.43 2.89 3.02 0.05 -4.96 115.26 113.04 3iok n ASN 981 Ca 0.02 -2.53 -0.33 0.00 -0.03 0.00 0.00 54.58 51.72 3iok n ASN 981 Cb 0.18 -0.35 -0.14 0.00 -0.61 0.00 0.00 39.78 38.86 3iok n ASN 981 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3iok s ILE 982 N -1.94 2.97 0.21 2.41 -1.09 -1.00 -0.80 121.20 121.96 3iok s ILE 982 Ca 0.29 -0.74 0.10 0.00 -2.23 0.00 0.00 60.65 58.07 3iok s ILE 982 Cb 0.21 -2.18 -0.04 0.00 -1.58 0.00 0.00 42.46 38.87 3iok s ILE 982 CO 0.10 0.57 -0.11 -0.76 -1.23 0.00 0.00 174.94 173.51 3iok s LEU 983 N -0.41 2.89 -0.25 2.97 1.43 0.02 -0.83 118.68 124.50 3iok s LEU 983 Ca 0.05 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.41 3iok s LEU 983 Cb -0.12 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3iok s LEU 983 CO 0.02 0.08 -0.00 -0.69 0.23 0.00 0.00 176.35 175.99 3iok s VAL 984 N -1.93 3.54 -0.09 -1.59 1.01 0.90 -0.79 120.40 121.45 3iok s VAL 984 Ca 0.26 -0.62 -0.25 0.00 0.00 0.00 0.00 61.98 61.37 3iok s VAL 984 Cb -0.08 -2.71 -0.21 0.00 0.00 0.00 0.00 36.38 33.38 3iok s VAL 984 CO 0.15 0.28 0.90 -0.08 0.00 0.00 0.00 175.10 176.35 3iok h GLU 985 N 8.14 -0.03 -3.45 2.72 4.81 -1.30 -2.55 114.58 122.92 3iok h GLU 985 Ca -0.37 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.77 3iok h GLU 985 Cb 1.14 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 3iok h GLU 985 CO 0.60 0.68 0.07 0.54 -0.73 0.00 0.00 179.01 180.16 3iok s ASN 986 N -5.91 0.27 0.53 1.04 2.20 -1.11 -4.19 114.94 107.76 3iok s ASN 986 Ca -0.16 -1.18 0.42 0.00 -0.94 0.00 0.00 52.86 51.00 3iok s ASN 986 Cb -0.01 0.75 1.62 0.00 -2.00 0.00 0.00 41.25 41.60 3iok s ASN 986 CO 0.62 -1.46 1.66 -0.08 -2.94 0.00 0.00 177.10 174.89 3iok h GLU 987 N 2.07 0.02 -0.41 3.55 4.81 -2.02 -0.79 114.58 121.80 3iok h GLU 987 Ca -0.29 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3iok h GLU 987 Cb 1.25 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3iok h GLU 987 CO 0.38 0.02 0.00 0.09 -0.73 0.00 0.00 179.01 178.76 3iok n ASN 988 N -4.16 3.19 -3.64 1.04 3.02 -1.26 -4.98 115.26 108.48 3iok n ASN 988 Ca 0.37 -2.07 -0.04 0.00 -0.03 0.00 0.00 54.58 52.82 3iok n ASN 988 Cb 1.66 -0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 40.48 3iok n ASN 988 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3iok s ARG 989 N -1.12 0.49 0.29 3.52 3.52 -0.30 -4.98 118.95 120.36 3iok s ARG 989 Ca 0.29 1.29 0.09 0.00 -0.13 0.00 0.00 55.73 57.27 3iok s ARG 989 Cb 0.16 0.67 -0.04 0.00 -1.56 0.00 0.00 34.95 34.17 3iok s ARG 989 CO 0.18 -0.23 0.05 0.14 -0.81 0.00 0.00 175.30 174.63 3iok s VAL 990 N 2.80 3.34 -0.06 7.11 -7.23 -1.26 -0.84 120.40 124.26 3iok s VAL 990 Ca -0.04 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 3iok s VAL 990 Cb -0.12 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.92 3iok s VAL 990 CO -0.17 -0.31 0.16 -0.54 -0.31 0.00 0.00 175.10 173.93 3iok s LYS 991 N -3.74 0.20 0.09 4.82 1.02 0.03 -4.58 119.74 117.58 3iok s LYS 991 Ca 0.34 0.19 -0.31 0.00 0.02 0.00 0.00 55.97 56.21 3iok s LYS 991 Cb -0.05 0.10 -0.08 0.00 -0.52 0.00 0.00 37.83 37.27 3iok s LYS 991 CO 0.21 -0.03 1.56 0.42 -0.92 0.00 0.00 175.35 176.60 3iok s ILE 992 N 0.01 3.04 0.00 2.17 1.01 0.35 -0.80 121.20 126.98 3iok s ILE 992 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.25 3iok s ILE 992 Cb -0.01 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 39.06 3iok s ILE 992 CO 0.00 0.02 0.39 0.61 0.00 0.00 0.00 174.94 175.96 3iok n GLY 993 N 3.82 -0.95 3.12 6.18 0.00 0.02 -1.52 105.19 115.86 3iok n GLY 993 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 3iok n GLY 993 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iok s ASP 994 N -0.16 -0.19 -0.07 1.61 2.15 -1.25 -4.93 116.67 113.84 3iok s ASP 994 Ca 0.00 0.33 0.16 0.00 0.43 0.00 0.00 52.55 53.47 3iok s ASP 994 Cb 0.00 0.41 0.32 0.00 -0.30 0.00 0.00 42.92 43.35 3iok s ASP 994 CO 0.00 -0.15 1.14 0.49 -0.17 0.00 0.00 175.17 176.49 3iok n PHE 995 N 2.61 0.00 0.29 -5.34 3.72 -1.26 -4.91 117.46 112.57 3iok n PHE 995 Ca -0.15 -0.71 0.13 0.00 -0.05 0.00 0.00 57.45 56.68 3iok n PHE 995 Cb 0.58 -0.15 0.85 0.00 -0.94 0.00 0.00 39.48 39.81 3iok n PHE 995 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3iok h GLY 996 N 0.66 0.00 -1.06 1.37 0.00 -1.95 -2.15 103.07 99.94 3iok h GLY 996 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3iok h GLY 996 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 3iok n LEU 997 N -3.97 2.10 -4.72 3.11 4.77 -1.26 -5.01 117.00 112.02 3iok n LEU 997 Ca -0.03 -1.01 -0.42 0.00 -0.03 0.00 0.00 56.01 54.52 3iok n LEU 997 Cb 0.10 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 3iok n LEU 997 CO 0.29 0.39 1.34 -0.89 -1.33 0.00 0.00 177.39 177.19 3iok s THR 998 N -1.09 2.09 0.19 -5.08 2.01 -0.81 -4.69 115.64 108.26 3iok s THR 998 Ca 0.15 0.07 0.09 0.00 0.31 0.00 0.00 61.69 62.31 3iok s THR 998 Cb 0.11 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 3iok s THR 998 CO 0.16 0.01 -0.10 -0.54 -0.69 0.00 0.00 174.62 173.46 3iok s LYS 999 N 0.97 2.04 -0.17 4.92 -0.14 -0.40 -4.94 119.74 122.03 3iok s LYS 999 Ca 0.73 -1.30 -0.11 0.00 -1.36 0.00 0.00 55.97 53.93 3iok s LYS 999 Cb -0.49 -2.14 -0.05 0.00 -1.68 0.00 0.00 37.83 33.47 3iok s LYS 999 CO 0.34 0.43 0.20 0.08 -0.76 0.00 0.00 175.35 175.64 3iok s VAL 1000N -1.75 5.37 0.46 3.17 1.01 -1.26 -0.96 120.40 126.43 3iok s VAL 1000Ca 0.25 0.35 -0.25 0.00 0.00 0.00 0.00 61.98 62.34 3iok s VAL 1000Cb -0.09 -3.53 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 3iok s VAL 1000CO 0.15 0.44 1.37 -0.76 0.00 0.00 0.00 175.10 176.31 3iok s LEU 1001N 0.20 4.09 0.57 3.92 1.43 -0.70 -4.98 118.68 123.21 3iok s LEU 1001Ca 0.13 2.80 -0.19 0.00 -1.03 0.00 0.00 54.13 55.84 3iok s LEU 1001Cb -0.12 -4.00 -0.04 0.00 0.03 0.00 0.00 46.19 42.06 3iok s LEU 1001CO 0.01 -1.15 1.16 -2.84 0.23 0.00 0.00 176.35 173.76 3iok s PRO 1002N -2.49 3.16 0.40 1.29 0.02 -1.26 -4.91 135.00 131.21 3iok s PRO 1002Ca 0.62 1.67 0.14 0.00 0.02 0.00 0.00 61.00 63.45 3iok s PRO 1002Cb -0.41 -1.97 0.98 0.00 0.02 0.00 0.00 34.50 33.12 3iok s PRO 1002CO 0.52 -1.02 1.88 0.37 -0.33 0.00 0.00 177.00 178.43 3iok h GLN 1003N 0.98 0.49 -0.07 5.54 4.15 -2.01 -2.56 115.11 121.63 3iok h GLN 1003Ca -0.50 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.89 3iok h GLN 1003Cb 1.27 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.85 3iok h GLN 1003CO 0.56 0.32 0.00 -0.40 -1.93 0.00 0.00 178.83 177.38 3iok n ASP 1004N -4.52 3.03 -4.29 -0.69 3.85 -1.26 -4.98 116.55 107.69 3iok n ASP 1004Ca 0.17 -1.98 -0.18 0.00 -0.71 0.00 0.00 54.79 52.08 3iok n ASP 1004Cb 0.56 -0.03 -0.11 0.00 -1.35 0.00 0.00 41.12 40.19 3iok n ASP 1004CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3iok s LYS 1005N -1.91 1.18 -0.30 0.11 1.02 -0.96 -5.28 119.74 113.60 3iok s LYS 1005Ca 0.29 -1.41 0.11 0.00 0.02 0.00 0.00 55.97 54.97 3iok s LYS 1005Cb 0.20 -1.03 0.62 0.00 -0.52 0.00 0.00 37.83 37.11 3iok s LYS 1005CO 0.30 0.18 1.64 0.39 -0.92 0.00 0.00 175.35 176.94 3iok n GLU 1006N 0.10 2.85 -3.60 1.68 -0.58 -1.26 -4.39 120.64 115.44 3iok n GLU 1006Ca -0.12 -3.05 -0.01 0.00 -0.42 0.00 0.00 57.16 53.56 3iok n GLU 1006Cb 0.59 -2.02 -0.04 0.00 -0.57 0.00 0.00 31.44 29.39 3iok n GLU 1006CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3iok s LYS 1009N -3.06 0.53 -0.33 3.49 2.20 -1.26 -4.50 119.74 116.81 3iok s LYS 1009Ca 0.50 1.26 -0.20 0.00 -0.36 0.00 0.00 55.97 57.17 3iok s LYS 1009Cb 0.41 0.68 -0.01 0.00 -1.51 0.00 0.00 37.83 37.40 3iok s LYS 1009CO 0.08 -0.17 0.60 0.08 -0.36 0.00 0.00 175.35 175.58 3iok s VAL 1010N 2.60 4.95 -0.05 4.02 1.01 -0.58 -4.97 120.40 127.37 3iok s VAL 1010Ca -0.06 0.67 -0.26 0.00 0.00 0.00 0.00 61.98 62.34 3iok s VAL 1010Cb -0.10 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 32.06 3iok s VAL 1010CO -0.19 -0.19 1.10 0.11 0.00 0.00 0.00 175.10 175.93 3iok h LYS 1011N 8.31 0.07 -2.83 2.72 1.79 -1.97 -3.41 116.57 121.26 3iok h LYS 1011Ca -0.27 -0.06 -0.61 0.00 -2.18 0.00 0.00 60.65 57.53 3iok h LYS 1011Cb 1.12 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 31.38 3iok h LYS 1011CO 0.80 0.73 -0.74 -1.21 -1.08 0.00 0.00 179.45 177.96 3iok s GLU 1012N -3.51 1.75 0.35 3.15 2.02 -1.26 -5.11 118.70 116.09 3iok s GLU 1012Ca -0.16 -2.72 -0.28 0.00 0.02 0.00 0.00 54.97 51.82 3iok s GLU 1012Cb 0.01 -2.58 -0.11 0.00 0.10 0.00 0.00 34.13 31.54 3iok s GLU 1012CO 0.70 -1.30 1.48 -2.30 0.02 0.00 0.00 175.26 173.86 3iok n PRO 1013N 2.52 2.59 0.00 0.39 -0.02 -1.26 -5.01 135.00 134.20 3iok n PRO 1013Ca 0.21 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 3iok n PRO 1013Cb 0.39 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3iok n PRO 1013CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iok n GLY 1014N 0.86 0.64 3.67 -1.23 0.00 -1.26 -5.01 105.19 102.87 3iok n GLY 1014Ca 0.03 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.47 3iok n GLY 1014CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iok n GLU 1015N 0.00 0.94 -3.60 1.61 1.02 -1.26 -4.97 120.64 114.38 3iok n GLU 1015Ca 0.00 0.34 -0.27 0.00 -0.02 0.00 0.00 57.16 57.20 3iok n GLU 1015Cb 0.00 -2.03 -0.16 0.00 -0.02 0.00 0.00 31.44 29.23 3iok n GLU 1015CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3iok s SER 1016N 3.93 2.94 -1.36 1.62 0.01 -1.26 -5.05 113.70 114.52 3iok s SER 1016Ca 1.01 -0.94 -0.15 0.00 1.31 0.00 0.00 55.95 57.18 3iok s SER 1016Cb -1.13 -0.35 0.02 0.00 0.21 0.00 0.00 66.02 64.77 3iok s SER 1016CO 0.67 -0.38 2.17 -0.81 0.41 0.00 0.00 173.24 175.29 3iok n PRO 1017N 5.23 2.69 -0.17 12.44 -0.04 -1.26 -4.80 135.00 149.08 3iok n PRO 1017Ca -0.07 -2.54 0.28 0.00 -0.04 0.00 0.00 63.50 61.14 3iok n PRO 1017Cb 0.46 -3.26 0.72 0.00 -0.04 0.00 0.00 33.50 31.38 3iok n PRO 1017CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3iok h ILE 1018N 4.15 0.56 0.00 0.52 3.07 -1.97 -1.09 117.51 122.75 3iok h ILE 1018Ca 0.54 -0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.95 3iok h ILE 1018Cb 0.66 0.55 0.00 0.00 -0.27 0.00 0.00 36.82 37.76 3iok h ILE 1018CO 1.88 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 179.47 3iok n PHE 1019N -4.28 0.00 0.18 0.16 3.01 -1.26 -2.27 117.46 113.01 3iok n PHE 1019Ca 0.18 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.67 3iok n PHE 1019Cb 0.94 -0.17 0.03 0.00 -0.01 0.00 0.00 39.48 40.27 3iok n PHE 1019CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 3iok n TRP 1020N -1.17 0.02 -3.17 1.38 8.01 -0.41 -4.86 117.44 117.24 3iok n TRP 1020Ca 0.14 -0.05 -0.39 0.00 -1.31 0.00 0.00 57.50 55.89 3iok n TRP 1020Cb 0.15 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.38 3iok n TRP 1020CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3iok s TYR 1021N -0.48 3.84 0.60 -5.99 1.51 -0.96 -3.89 117.35 111.98 3iok s TYR 1021Ca 0.06 1.40 -0.17 0.00 -1.01 0.00 0.00 57.07 57.35 3iok s TYR 1021Cb 0.04 -2.60 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 3iok s TYR 1021CO 0.06 0.55 1.14 0.00 -1.11 0.00 0.00 175.55 176.19 3iok s ALA 1022N -1.08 2.56 0.23 3.71 0.00 -1.26 -4.87 121.76 121.04 3iok s ALA 1022Ca 0.31 0.74 -0.07 0.00 0.00 0.00 0.00 51.96 52.95 3iok s ALA 1022Cb -0.21 -3.36 0.37 0.00 0.00 0.00 0.00 23.12 19.93 3iok s ALA 1022CO 0.21 -1.08 1.73 -1.35 0.00 0.00 0.00 175.76 175.28 3iok h PRO 1023N 0.62 0.41 0.00 0.00 0.11 -1.95 -0.36 132.00 130.83 3iok h PRO 1023Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3iok h PRO 1023Cb 1.26 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3iok h PRO 1023CO 0.55 0.27 -0.07 1.05 -0.21 0.00 0.00 178.00 179.59 3iok h GLU 1024N 0.42 0.00 -0.05 1.05 9.09 -1.92 0.16 114.58 123.33 3iok h GLU 1024Ca 0.36 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.56 3iok h GLU 1024Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 3iok h GLU 1024CO -0.37 0.07 -0.85 0.77 0.05 0.00 0.00 179.01 178.68 3iok h SER 1025N 0.00 0.58 -0.25 3.06 0.02 -1.10 0.25 113.55 116.12 3iok h SER 1025Ca -0.00 -0.43 -0.15 0.00 -0.84 0.00 0.00 61.79 60.38 3iok h SER 1025Cb 0.16 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 3iok h SER 1025CO 0.01 1.20 -0.41 -0.07 -1.14 0.00 0.00 176.83 176.42 3iok h LEU 1026N 0.29 0.80 0.16 5.07 3.38 -0.91 -2.29 115.31 121.81 3iok h LEU 1026Ca -0.06 -0.53 -0.30 0.00 0.09 0.00 0.00 57.88 57.09 3iok h LEU 1026Cb 1.47 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 42.00 3iok h LEU 1026CO 0.15 1.17 -1.44 0.71 0.09 0.00 0.00 178.44 179.11 3iok h THR 1027N 0.45 1.10 -0.00 0.22 1.35 -1.04 -3.40 112.91 111.59 3iok h THR 1027Ca 0.02 -2.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.38 3iok h THR 1027Cb 1.01 2.85 0.00 0.00 -1.73 0.00 0.00 68.15 70.28 3iok h THR 1027CO 0.09 0.77 0.00 -0.62 -0.25 0.00 0.00 175.52 175.52 3iok n GLU 1028N -3.82 -0.65 -3.41 4.72 1.02 0.06 -4.99 120.64 113.57 3iok n GLU 1028Ca -0.22 -0.63 -0.25 0.00 -0.02 0.00 0.00 57.16 56.04 3iok n GLU 1028Cb 0.97 -1.03 0.03 0.00 -0.02 0.00 0.00 31.44 31.39 3iok n GLU 1028CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3iok n SER 1029N 0.08 -5.29 -4.66 1.62 2.88 -0.86 -4.78 113.62 102.60 3iok n SER 1029Ca 0.01 -0.47 -0.35 0.00 -1.33 0.00 0.00 58.87 56.73 3iok n SER 1029Cb 0.05 -4.26 -0.09 0.00 -0.75 0.00 0.00 64.21 59.16 3iok n SER 1029CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3iok s LYS 1030N -6.10 4.06 -0.04 -1.46 1.02 -1.13 -1.53 119.74 114.57 3iok s LYS 1030Ca 0.46 -0.29 0.05 0.00 0.02 0.00 0.00 55.97 56.21 3iok s LYS 1030Cb -0.22 -3.40 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 3iok s LYS 1030CO 0.57 0.18 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.94 3iok s PHE 1031N 0.67 1.82 0.37 3.18 0.40 -1.26 -3.44 117.98 119.72 3iok s PHE 1031Ca 0.06 -0.50 -0.10 0.00 -0.60 0.00 0.00 56.93 55.79 3iok s PHE 1031Cb -0.12 -1.21 0.03 0.00 0.51 0.00 0.00 43.02 42.23 3iok s PHE 1031CO 0.01 -0.15 0.66 -1.54 0.70 0.00 0.00 175.22 174.90 3iok s SER 1032N -0.06 0.42 0.29 1.36 1.04 -1.26 -4.75 113.70 110.73 3iok s SER 1032Ca -0.02 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.10 3iok s SER 1032Cb -0.11 0.78 0.51 0.00 0.10 0.00 0.00 66.02 67.30 3iok s SER 1032CO 0.02 -1.54 1.88 0.58 0.98 0.00 0.00 173.24 175.16 3iok h VAL 1033N 2.04 1.03 -0.43 5.02 2.07 -1.92 -2.41 116.25 121.65 3iok h VAL 1033Ca -0.31 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 3iok h VAL 1033Cb 1.25 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3iok h VAL 1033CO 0.40 0.19 0.12 0.00 0.02 0.00 0.00 177.57 178.30 3iok h ALA 1034N 1.50 1.40 -0.11 1.67 0.00 -1.92 -1.37 119.26 120.43 3iok h ALA 1034Ca 0.43 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 3iok h ALA 1034Cb 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iok h ALA 1034CO -0.18 0.44 -0.61 0.66 0.00 0.00 0.00 179.25 179.56 3iok h SER 1035N 0.63 0.41 -0.62 0.00 4.64 -1.81 -2.10 113.55 114.70 3iok h SER 1035Ca 0.15 -0.24 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 3iok h SER 1035Cb 0.22 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 3iok h SER 1035CO -0.01 0.92 0.24 0.44 -0.87 0.00 0.00 176.83 177.55 3iok h ASP 1036N 0.27 0.86 -0.40 4.97 3.32 -1.04 -1.76 116.42 122.64 3iok h ASP 1036Ca -0.01 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.89 3iok h ASP 1036Cb 1.13 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 3iok h ASP 1036CO 0.10 0.81 0.22 0.58 -1.72 0.00 0.00 179.24 179.23 3iok h VAL 1037N 0.87 1.01 -0.25 -1.35 2.07 -1.17 0.61 116.25 118.04 3iok h VAL 1037Ca 0.21 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.63 3iok h VAL 1037Cb 0.22 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 3iok h VAL 1037CO -0.01 0.08 -0.34 -0.25 0.02 0.00 0.00 177.57 177.06 3iok h TRP 1038N 0.44 -0.96 -0.98 1.57 2.91 -1.11 -1.79 115.95 116.03 3iok h TRP 1038Ca 0.16 0.05 0.14 0.00 1.13 0.00 0.00 58.89 60.37 3iok h TRP 1038Cb 0.04 0.46 -0.09 0.00 -0.51 0.00 0.00 29.16 29.06 3iok h TRP 1038CO -0.08 -0.41 0.61 0.77 -1.03 0.00 0.00 178.44 178.30 3iok h SER 1039N -0.35 0.85 -0.61 2.65 0.02 -1.00 -0.74 113.55 114.38 3iok h SER 1039Ca 0.12 0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.17 3iok h SER 1039Cb 0.56 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3iok h SER 1039CO -0.44 0.42 0.40 0.15 -1.14 0.00 0.00 176.83 176.21 3iok h PHE 1040N 0.90 0.70 -0.95 3.45 3.57 -0.06 -0.96 116.94 123.59 3iok h PHE 1040Ca 0.51 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 62.02 3iok h PHE 1040Cb 0.60 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.05 3iok h PHE 1040CO -0.01 0.41 0.58 0.78 -2.23 0.00 0.00 178.31 177.84 3iok h GLY 1041N 0.73 1.38 1.06 2.40 0.00 -0.46 -1.44 103.07 106.73 3iok h GLY 1041Ca 0.24 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 3iok h GLY 1041CO -0.06 0.55 -0.00 -2.08 0.00 0.00 0.00 176.54 174.95 3iok h VAL 1042N 1.31 1.27 -0.56 4.60 2.07 -1.09 -1.25 116.25 122.59 3iok h VAL 1042Ca 0.34 -1.13 0.08 0.00 0.82 0.00 0.00 66.70 66.80 3iok h VAL 1042Cb -0.06 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 3iok h VAL 1042CO -0.06 0.41 0.22 0.58 0.02 0.00 0.00 177.57 178.74 3iok h VAL 1043N 0.91 0.83 -0.84 2.57 2.07 -0.91 0.82 116.25 121.71 3iok h VAL 1043Ca 0.16 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3iok h VAL 1043Cb 0.55 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3iok h VAL 1043CO 0.03 0.08 0.52 0.25 0.02 0.00 0.00 177.57 178.46 3iok h LEU 1044N 0.42 1.00 -0.40 2.57 5.85 -0.85 -0.49 115.31 123.41 3iok h LEU 1044Ca 0.27 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.96 3iok h LEU 1044Cb 0.29 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3iok h LEU 1044CO -0.25 0.76 0.20 0.22 -0.34 0.00 0.00 178.44 179.02 3iok h TYR 1045N 1.15 0.37 0.03 1.25 3.20 -0.60 -2.54 116.97 119.82 3iok h TYR 1045Ca 0.30 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.21 3iok h TYR 1045Cb -0.07 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 3iok h TYR 1045CO -0.01 0.20 -0.19 0.93 -1.64 0.00 0.00 178.16 177.45 3iok h GLU 1046N 0.41 -0.31 -0.40 1.82 5.08 -0.19 -1.44 114.58 119.55 3iok h GLU 1046Ca 0.17 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3iok h GLU 1046Cb 0.07 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 3iok h GLU 1046CO -0.11 -0.21 0.10 -0.07 -1.00 0.00 0.00 179.01 177.72 3iok h LEU 1047N -0.32 0.06 -0.00 1.33 3.38 -1.06 -1.91 115.31 116.79 3iok h LEU 1047Ca 0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3iok h LEU 1047Cb 0.38 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3iok h LEU 1047CO -0.16 0.07 -0.00 0.49 0.09 0.00 0.00 178.44 178.93 3iok n PHE 1048N -5.07 0.00 1.32 1.13 3.01 -0.96 -1.44 117.46 115.45 3iok n PHE 1048Ca 0.03 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.62 3iok n PHE 1048Cb 0.17 -0.50 0.37 0.00 -0.01 0.00 0.00 39.48 39.52 3iok n PHE 1048CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 3iok n THR 1049N -1.50 0.00 -2.91 4.37 -2.24 -0.56 -4.71 114.28 106.73 3iok n THR 1049Ca 0.07 -0.30 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 3iok n THR 1049Cb 0.34 0.79 0.01 0.00 -2.10 0.00 0.00 70.33 69.37 3iok n THR 1049CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3iok n TYR 1050N 0.39 -1.66 -3.47 4.78 4.02 -0.52 -1.86 117.16 118.83 3iok n TYR 1050Ca 0.16 0.32 -0.25 0.00 -0.01 0.00 0.00 57.90 58.12 3iok n TYR 1050Cb 0.42 -3.53 0.01 0.00 -0.02 0.00 0.00 39.34 36.23 3iok n TYR 1050CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3iok n ILE 1051N -4.00 -1.50 -1.90 -0.72 5.41 -0.76 -4.39 119.36 111.50 3iok n ILE 1051Ca -0.11 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.22 3iok n ILE 1051Cb 0.60 -2.45 -0.03 0.00 -0.71 0.00 0.00 39.64 37.05 3iok n ILE 1051CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3iok s GLU 1052N -6.15 4.20 0.15 0.38 2.12 -0.78 -4.92 118.70 113.70 3iok s GLU 1052Ca 0.47 2.39 -0.19 0.00 0.36 0.00 0.00 54.97 58.00 3iok s GLU 1052Cb -0.24 -3.18 0.03 0.00 0.26 0.00 0.00 34.13 31.00 3iok s GLU 1052CO 0.58 -0.64 1.68 1.57 -0.54 0.00 0.00 175.26 177.91 3iok h LYS 1053N 6.94 -0.04 0.00 4.30 2.10 -1.91 -1.79 116.57 126.17 3iok h LYS 1053Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 3iok h LYS 1053Cb 1.20 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3iok h LYS 1053CO 0.92 -0.03 0.00 -1.13 -2.00 0.00 0.00 179.45 177.21 3iok n SER 1054N -5.27 0.04 -0.76 7.07 3.41 -1.26 -2.59 113.62 114.26 3iok n SER 1054Ca -0.00 0.51 0.09 0.00 -0.26 0.00 0.00 58.87 59.21 3iok n SER 1054Cb 0.19 -0.52 0.08 0.00 -0.26 0.00 0.00 64.21 63.71 3iok n SER 1054CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3iok n LYS 1055N -1.55 1.64 -1.40 4.33 4.76 -0.71 -4.57 118.16 120.66 3iok n LYS 1055Ca 0.05 -1.64 -0.35 0.00 -2.87 0.00 0.00 58.31 53.50 3iok n LYS 1055Cb 0.23 -1.36 0.10 0.00 -1.84 0.00 0.00 35.03 32.15 3iok n LYS 1055CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3iok s SER 1056N -1.55 4.10 0.23 4.39 1.04 -0.99 -4.62 113.70 116.29 3iok s SER 1056Ca 0.22 2.41 -0.10 0.00 0.48 0.00 0.00 55.95 58.97 3iok s SER 1056Cb 0.16 -2.59 0.33 0.00 0.10 0.00 0.00 66.02 64.02 3iok s SER 1056CO 0.24 -2.33 1.64 -0.65 0.98 0.00 0.00 173.24 173.12 3iok h PRO 1057N -0.30 0.07 -0.61 4.02 0.11 -1.92 0.45 132.00 133.83 3iok h PRO 1057Ca -0.48 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.65 3iok h PRO 1057Cb 1.30 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.36 3iok h PRO 1057CO 0.49 0.05 0.37 -1.35 -0.21 0.00 0.00 178.00 177.35 3iok h PRO 1058N 0.07 0.71 -0.36 1.05 0.11 -1.91 -0.73 132.00 130.95 3iok h PRO 1058Ca 0.35 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.43 3iok h PRO 1058Cb 0.59 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.51 3iok h PRO 1058CO -0.63 0.47 0.21 0.00 -0.21 0.00 0.00 178.00 177.84 3iok h ALA 1059N 1.26 0.45 -0.16 -0.75 0.00 -1.63 -1.59 119.26 116.84 3iok h ALA 1059Ca 0.24 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3iok h ALA 1059Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3iok h ALA 1059CO -0.10 -0.13 -0.38 0.93 0.00 0.00 0.00 179.25 179.57 3iok h GLU 1060N 0.43 0.54 -0.60 0.00 4.39 -0.78 -2.32 114.58 116.23 3iok h GLU 1060Ca 0.14 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.40 3iok h GLU 1060Cb -0.00 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3iok h GLU 1060CO -0.06 0.98 0.07 0.74 -1.16 0.00 0.00 179.01 179.58 3iok h PHE 1061N 0.18 1.05 -0.84 4.33 0.04 -1.13 -2.16 116.94 118.41 3iok h PHE 1061Ca -0.00 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.59 3iok h PHE 1061Cb 0.98 -0.29 -0.04 0.00 2.20 0.00 0.00 35.95 38.80 3iok h PHE 1061CO 0.10 0.91 0.40 0.52 -0.60 0.00 0.00 178.31 179.64 3iok h MET 1062N 0.93 1.20 -0.52 1.51 2.86 -1.27 -0.88 114.93 118.76 3iok h MET 1062Ca 0.18 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3iok h MET 1062Cb 0.44 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 3iok h MET 1062CO 0.01 0.92 0.30 -0.09 1.06 0.00 0.00 176.91 179.12 3iok h ARG 1063N 1.19 0.59 -0.13 1.72 2.43 -1.19 0.27 114.38 119.25 3iok h ARG 1063Ca 0.29 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 59.27 3iok h ARG 1063Cb 0.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3iok h ARG 1063CO -0.04 0.39 -0.56 0.52 -1.51 0.00 0.00 179.97 178.77 3iok h MET 1064N 0.60 0.40 0.00 0.20 2.86 -0.95 -3.02 114.93 115.02 3iok h MET 1064Ca 0.21 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3iok h MET 1064Cb 0.04 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3iok h MET 1064CO -0.10 0.85 -0.73 -0.84 1.06 0.00 0.00 176.91 177.14 3iok h ILE 1065N 0.30 0.00 0.00 -1.22 3.07 -1.08 -3.50 117.51 115.08 3iok h ILE 1065Ca 0.00 -0.55 0.00 0.00 1.55 0.00 0.00 64.86 65.86 3iok h ILE 1065Cb 1.07 1.09 0.00 0.00 -0.27 0.00 0.00 36.82 38.70 3iok h ILE 1065CO 0.10 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.81 3iok n GLY 1066N 1.32 1.74 0.00 0.16 0.00 0.93 -4.77 105.19 104.57 3iok n GLY 1066Ca 0.03 -1.23 0.02 0.00 0.00 0.00 0.00 46.02 44.83 3iok n GLY 1066CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iok n ASN 1067N 0.00 0.00 0.03 1.61 4.13 -1.10 -1.44 115.26 118.48 3iok n ASN 1067Ca 0.00 0.14 0.13 0.00 1.68 0.00 0.00 54.58 56.53 3iok n ASN 1067Cb 0.00 -0.21 0.34 0.00 -1.54 0.00 0.00 39.78 38.38 3iok n ASN 1067CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3iok n ASP 1068N -1.21 0.46 -4.74 6.41 5.75 -1.26 -4.87 116.55 117.09 3iok n ASP 1068Ca 0.02 0.14 -0.41 0.00 -0.01 0.00 0.00 54.79 54.53 3iok n ASP 1068Cb 0.02 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 39.98 3iok n ASP 1068CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3iok s LYS 1069N -3.06 4.56 0.02 0.11 -0.14 -0.52 -5.03 119.74 115.67 3iok s LYS 1069Ca 0.10 1.81 0.02 0.00 -1.36 0.00 0.00 55.97 56.54 3iok s LYS 1069Cb 0.16 -3.24 -0.02 0.00 -1.68 0.00 0.00 37.83 33.05 3iok s LYS 1069CO 0.65 0.03 -0.06 -0.65 -0.76 0.00 0.00 175.35 174.56 3iok s GLN 1070N -0.54 0.43 4.00 1.68 -0.21 -1.26 -4.74 119.66 119.02 3iok s GLN 1070Ca 0.50 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 55.38 3iok s GLN 1070Cb -0.31 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 33.43 3iok s GLN 1070CO 0.37 0.06 0.00 0.41 -2.12 0.00 0.00 175.29 174.01 3iok n GLY 1071N 2.08 2.68 0.36 3.09 0.00 -1.26 -1.85 105.19 110.29 3iok n GLY 1071Ca -0.19 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 45.82 3iok n GLY 1071CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3iok h GLN 1072N 0.00 0.00 -0.08 1.61 3.07 -2.02 -0.81 115.11 116.88 3iok h GLN 1072Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.66 3iok h GLN 1072Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 3iok h GLN 1072CO 0.00 0.00 -0.33 0.52 0.09 0.00 0.00 178.83 179.11 3iok h MET 1073N 0.00 0.16 -0.17 0.06 2.86 -1.77 -2.46 114.93 113.61 3iok h MET 1073Ca 0.12 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.74 3iok h MET 1073Cb 0.84 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 3iok h MET 1073CO -0.00 0.48 -0.08 0.82 1.06 0.00 0.00 176.91 179.18 3iok h ILE 1074N 0.14 0.74 -0.36 -1.22 2.04 -1.22 -1.20 117.51 116.43 3iok h ILE 1074Ca 0.02 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.89 3iok h ILE 1074Cb 0.65 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 3iok h ILE 1074CO 0.05 0.00 0.22 0.58 0.00 0.00 0.00 178.15 179.00 3iok h VAL 1075N -0.06 1.05 -0.34 1.67 2.07 -1.60 0.89 116.25 119.92 3iok h VAL 1075Ca 0.09 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.52 3iok h VAL 1075Cb 0.20 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 3iok h VAL 1075CO -0.21 0.08 0.02 0.15 0.02 0.00 0.00 177.57 177.63 3iok h PHE 1076N 0.44 0.01 0.01 1.57 3.04 -1.26 -1.59 116.94 119.16 3iok h PHE 1076Ca 0.14 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.92 3iok h PHE 1076Cb -0.01 0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 3iok h PHE 1076CO -0.07 -0.04 -0.93 0.45 -2.02 0.00 0.00 178.31 175.70 3iok h HIS 1077N 0.12 0.10 -0.51 0.41 3.86 -0.90 -2.86 115.15 115.37 3iok h HIS 1077Ca 0.16 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3iok h HIS 1077Cb 0.22 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.65 3iok h HIS 1077CO -0.23 0.95 0.32 1.25 0.86 0.00 0.00 177.93 181.09 3iok h LEU 1078N 0.03 0.60 -0.10 2.43 5.85 -0.63 -0.60 115.31 122.88 3iok h LEU 1078Ca -0.03 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3iok h LEU 1078Cb 1.61 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 3iok h LEU 1078CO 0.13 0.45 0.06 0.40 -0.34 0.00 0.00 178.44 179.14 3iok h ILE 1079N 0.69 1.07 -0.40 4.05 2.04 -1.23 -1.20 117.51 122.53 3iok h ILE 1079Ca 0.19 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.77 3iok h ILE 1079Cb -0.05 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3iok h ILE 1079CO -0.04 0.06 -0.08 -0.33 0.00 0.00 0.00 178.15 177.77 3iok h GLU 1080N 0.09 0.69 -0.13 2.37 4.39 -1.40 -0.87 114.58 119.71 3iok h GLU 1080Ca 0.04 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 3iok h GLU 1080Cb 0.05 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3iok h GLU 1080CO -0.01 0.76 0.07 1.25 -1.16 0.00 0.00 179.01 179.92 3iok h LEU 1081N 0.63 0.17 -0.56 1.33 5.85 -0.84 -2.56 115.31 119.33 3iok h LEU 1081Ca 0.12 -0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 3iok h LEU 1081Cb 0.51 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3iok h LEU 1081CO 0.03 0.23 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.28 3iok h LEU 1082N 0.10 0.98 -2.04 2.25 3.38 -1.02 -0.51 115.31 118.45 3iok h LEU 1082Ca 0.05 -0.31 0.09 0.00 0.09 0.00 0.00 57.88 57.80 3iok h LEU 1082Cb 0.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3iok h LEU 1082CO -0.01 1.05 0.25 0.11 0.09 0.00 0.00 178.44 179.94 3iok h LYS 1083N 0.88 0.00 -0.57 1.13 1.57 -1.14 -2.32 116.57 116.12 3iok h LYS 1083Ca 0.16 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3iok h LYS 1083Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3iok h LYS 1083CO 0.03 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.00 3iok n ASN 1084N -4.30 5.72 -1.07 0.86 4.13 -0.66 -4.94 115.26 114.99 3iok n ASN 1084Ca 0.05 -2.93 -0.14 0.00 1.68 0.00 0.00 54.58 53.24 3iok n ASN 1084Cb 0.42 -0.68 -0.06 0.00 -1.54 0.00 0.00 39.78 37.91 3iok n ASN 1084CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3iok n ASN 1085N 0.61 -4.87 -4.70 6.41 4.13 -0.87 -4.99 115.26 110.97 3iok n ASN 1085Ca 0.28 0.35 -0.42 0.00 1.68 0.00 0.00 54.58 56.46 3iok n ASN 1085Cb 1.19 -3.61 -0.03 0.00 -1.54 0.00 0.00 39.78 35.80 3iok n ASN 1085CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3iok s GLY 1086N -2.77 1.56 0.15 7.41 0.00 -0.29 -4.99 107.32 108.39 3iok s GLY 1086Ca 0.00 1.29 0.01 0.00 0.00 0.00 0.00 44.72 46.02 3iok s GLY 1086CO 0.00 2.77 0.02 0.50 0.00 0.00 0.00 173.10 176.39 3iok s ARG 1087N 1.93 1.02 0.40 2.90 1.81 -1.26 -4.34 118.95 121.41 3iok s ARG 1087Ca 0.72 -1.49 -0.27 0.00 -1.72 0.00 0.00 55.73 52.98 3iok s ARG 1087Cb -0.42 -0.05 -0.10 0.00 -0.45 0.00 0.00 34.95 33.94 3iok s ARG 1087CO 0.32 -0.18 1.39 -0.51 -0.68 0.00 0.00 175.30 175.64 3iok s LEU 1088N -3.12 4.25 0.90 2.53 1.43 -1.26 -5.01 118.68 118.40 3iok s LEU 1088Ca 0.23 2.86 -0.12 0.00 -1.03 0.00 0.00 54.13 56.07 3iok s LEU 1088Cb 0.07 -3.80 0.13 0.00 0.03 0.00 0.00 46.19 42.62 3iok s LEU 1088CO 0.03 -0.90 1.09 -2.16 0.23 0.00 0.00 176.35 174.64 3iok s PRO 1089N -2.18 1.25 0.13 1.29 0.04 -1.26 -4.97 135.00 129.30 3iok s PRO 1089Ca 0.55 0.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.04 3iok s PRO 1089Cb -0.42 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3iok s PRO 1089CO 0.56 -2.23 1.54 0.50 0.04 0.00 0.00 177.00 177.41 3iok s ARG 1090N -4.97 4.24 0.34 4.56 3.52 -1.26 -4.98 118.95 120.40 3iok s ARG 1090Ca 0.63 2.28 -0.29 0.00 -0.13 0.00 0.00 55.73 58.23 3iok s ARG 1090Cb -0.18 -3.27 -0.12 0.00 -1.56 0.00 0.00 34.95 29.82 3iok s ARG 1090CO 0.57 -0.59 1.43 -2.30 -0.81 0.00 0.00 175.30 173.60 3iok n PRO 1091N 4.33 2.46 -1.67 5.12 -0.02 -1.26 -4.91 135.00 139.05 3iok n PRO 1091Ca 0.14 0.86 -0.49 0.00 -2.02 0.00 0.00 63.50 61.99 3iok n PRO 1091Cb 0.40 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 3iok n PRO 1091CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3iok n ASP 1092N 0.93 3.02 0.00 2.55 2.03 -1.26 -1.79 116.55 122.04 3iok n ASP 1092Ca 0.04 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.39 3iok n ASP 1092Cb 0.37 -1.35 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 3iok n ASP 1092CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iok n GLY 1093N 3.83 0.83 3.69 0.27 0.00 -1.26 -4.96 105.19 107.59 3iok n GLY 1093Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3iok n GLY 1093CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iok n PRO 1095N 5.18 2.28 -0.20 0.00 -0.02 -1.26 -4.83 135.00 136.16 3iok n PRO 1095Ca 0.11 0.81 0.01 0.00 -2.02 0.00 0.00 63.50 62.41 3iok n PRO 1095Cb 0.46 -2.63 0.11 0.00 -0.02 0.00 0.00 33.50 31.42 3iok n PRO 1095CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iok h ASP 1096N 2.35 -0.01 0.31 2.55 3.32 -1.99 -1.89 116.42 121.06 3iok h ASP 1096Ca -0.51 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 3iok h ASP 1096Cb 1.27 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 3iok h ASP 1096CO 0.61 0.00 -0.19 1.05 -1.72 0.00 0.00 179.24 178.99 3iok h GLU 1097N 0.25 0.00 0.18 3.56 9.09 -1.99 0.47 114.58 126.14 3iok h GLU 1097Ca 0.31 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.48 3iok h GLU 1097Cb 0.47 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.59 3iok h GLU 1097CO -0.41 0.19 -1.09 0.82 0.05 0.00 0.00 179.01 178.58 3iok h ILE 1098N 0.00 1.40 -0.84 -1.06 2.04 -1.79 -3.07 117.51 114.20 3iok h ILE 1098Ca -0.00 -2.59 -0.01 0.00 1.00 0.00 0.00 64.86 63.26 3iok h ILE 1098Cb 0.40 3.12 -0.04 0.00 -0.74 0.00 0.00 36.82 39.56 3iok h ILE 1098CO 0.02 0.75 0.48 0.22 0.00 0.00 0.00 178.15 179.63 3iok h TYR 1099N -0.18 1.14 -0.95 1.37 3.20 -0.93 -1.85 116.97 118.76 3iok h TYR 1099Ca -0.19 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 61.77 3iok h TYR 1099Cb 1.84 -0.37 -0.08 0.00 1.54 0.00 0.00 36.73 39.67 3iok h TYR 1099CO 0.17 0.78 0.61 0.52 -1.64 0.00 0.00 178.16 178.60 3iok h MET 1100N 1.17 0.89 -0.28 1.82 2.86 -1.02 -2.32 114.93 118.05 3iok h MET 1100Ca 0.30 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3iok h MET 1100Cb 0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 3iok h MET 1100CO -0.05 0.59 0.15 0.82 1.06 0.00 0.00 176.91 179.48 3iok h ILE 1101N 0.92 1.13 0.01 -1.22 2.04 -1.24 -2.23 117.51 116.92 3iok h ILE 1101Ca 0.46 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.99 3iok h ILE 1101Cb 0.50 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3iok h ILE 1101CO -0.23 0.13 -0.27 0.24 0.00 0.00 0.00 178.15 178.03 3iok h MET 1102N 0.33 -0.40 -0.13 2.37 2.86 -0.98 -1.68 114.93 117.29 3iok h MET 1102Ca 0.10 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.73 3iok h MET 1102Cb 0.08 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3iok h MET 1102CO -0.01 -0.27 -0.07 1.79 1.06 0.00 0.00 176.91 179.41 3iok h THR 1103N -0.41 1.14 -0.53 2.22 1.35 -1.40 -0.89 112.91 114.39 3iok h THR 1103Ca 0.06 -0.58 -0.11 0.00 -0.55 0.00 0.00 66.41 65.23 3iok h THR 1103Cb 0.49 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 3iok h THR 1103CO -0.23 0.18 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.05 3iok h GLU 1104N 0.20 0.98 -0.39 4.72 4.81 -0.95 -2.94 114.58 121.00 3iok h GLU 1104Ca 0.04 -0.35 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 3iok h GLU 1104Cb 0.26 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3iok h GLU 1104CO 0.01 1.02 0.06 0.00 -0.73 0.00 0.00 179.01 179.37 3iok n TRP 1106N -4.30 1.61 -3.15 0.00 8.01 -0.67 -3.95 117.44 115.00 3iok n TRP 1106Ca 0.02 -1.99 -0.40 0.00 -1.31 0.00 0.00 57.50 53.82 3iok n TRP 1106Cb 0.22 -1.18 -0.06 0.00 -2.01 0.00 0.00 31.31 28.28 3iok n TRP 1106CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3iok s ASN 1107N 0.20 6.71 0.43 -0.99 3.04 -1.21 -4.95 114.94 118.16 3iok s ASN 1107Ca 0.45 0.85 0.15 0.00 0.04 0.00 0.00 52.86 54.36 3iok s ASN 1107Cb 0.32 -2.34 1.03 0.00 -1.54 0.00 0.00 41.25 38.72 3iok s ASN 1107CO -0.10 -0.21 1.94 0.78 -3.04 0.00 0.00 177.10 176.46 3iok h ASN 1108N 7.30 0.39 -3.26 -4.21 -0.26 -1.92 -3.38 115.58 110.24 3iok h ASN 1108Ca -0.34 0.02 -0.57 0.00 -0.56 0.00 0.00 56.30 54.85 3iok h ASN 1108Cb 1.15 -0.06 -0.05 0.00 -1.06 0.00 0.00 38.32 38.30 3iok h ASN 1108CO 0.77 0.22 0.96 0.21 -1.06 0.00 0.00 177.43 178.52 3iok s ASN 1109N -6.05 6.67 0.26 5.81 3.84 -1.26 -4.91 114.94 119.30 3iok s ASN 1109Ca -0.08 1.04 -0.04 0.00 0.21 0.00 0.00 52.86 53.99 3iok s ASN 1109Cb 0.21 -2.54 0.30 0.00 -0.55 0.00 0.00 41.25 38.67 3iok s ASN 1109CO 0.76 -1.11 1.85 -0.37 -2.79 0.00 0.00 177.10 175.45 3iok h VAL 1110N 6.02 1.24 0.00 -5.21 -1.51 -1.99 -2.70 116.25 112.09 3iok h VAL 1110Ca -0.25 -0.68 -0.01 0.00 -1.23 0.00 0.00 66.70 64.54 3iok h VAL 1110Cb 1.09 0.26 -0.00 0.00 -2.13 0.00 0.00 31.29 30.51 3iok h VAL 1110CO 1.05 0.29 -0.04 0.78 -1.23 0.00 0.00 177.57 178.42 3iok h ASN 1111N 1.09 0.00 0.58 4.19 2.35 -1.93 -2.96 115.58 118.90 3iok h ASN 1111Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3iok h ASN 1111Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 3iok h ASN 1111CO -0.03 0.04 -0.68 0.00 -1.65 0.00 0.00 177.43 175.10 3iok n GLN 1112N -3.18 0.16 -2.08 0.81 6.02 -1.02 -4.90 117.38 113.19 3iok n GLN 1112Ca -0.00 0.03 -0.38 0.00 -0.01 0.00 0.00 57.00 56.63 3iok n GLN 1112Cb 0.26 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.94 3iok n GLN 1112CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3iok s ARG 1113N -3.10 3.70 0.84 -1.09 0.52 -1.12 -5.00 118.95 113.71 3iok s ARG 1113Ca 0.08 2.02 -0.12 0.00 -0.52 0.00 0.00 55.73 57.19 3iok s ARG 1113Cb 0.15 -2.51 0.10 0.00 0.52 0.00 0.00 34.95 33.21 3iok s ARG 1113CO 0.74 -0.67 1.10 -1.25 0.02 0.00 0.00 175.30 175.24 3iok s PRO 1114N -2.56 1.70 0.37 3.54 0.04 -1.26 -5.06 135.00 131.77 3iok s PRO 1114Ca 0.63 0.66 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 3iok s PRO 1114Cb -0.35 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.27 3iok s PRO 1114CO 0.43 -1.89 0.64 -1.54 0.04 0.00 0.00 177.00 174.68 3iok s SER 1115N -3.76 6.36 0.44 6.66 1.04 -1.26 -4.95 113.70 118.24 3iok s SER 1115Ca 0.62 0.74 0.15 0.00 0.48 0.00 0.00 55.95 57.94 3iok s SER 1115Cb -0.16 -2.16 0.97 0.00 0.10 0.00 0.00 66.02 64.78 3iok s SER 1115CO 0.55 -0.35 1.96 -0.26 0.98 0.00 0.00 173.24 176.13 3iok h PHE 1116N 0.99 0.00 -0.14 5.02 -1.00 -1.96 -0.85 116.94 119.01 3iok h PHE 1116Ca -0.48 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.29 3iok h PHE 1116Cb 1.20 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.76 3iok h PHE 1116CO 0.56 0.22 0.06 -0.09 -1.61 0.00 0.00 178.31 177.45 3iok h ARG 1117N 0.00 0.20 -0.29 1.51 2.43 -1.94 -1.78 114.38 114.50 3iok h ARG 1117Ca -0.00 -0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 3iok h ARG 1117Cb 0.39 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3iok h ARG 1117CO 0.03 0.27 -0.20 -0.44 -1.51 0.00 0.00 179.97 178.12 3iok h ASP 1118N 0.08 0.54 -0.43 -3.80 3.45 -1.86 -2.62 116.42 111.78 3iok h ASP 1118Ca 0.05 -0.17 -0.03 0.00 0.43 0.00 0.00 57.03 57.31 3iok h ASP 1118Cb 0.15 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.75 3iok h ASP 1118CO -0.00 0.75 0.16 -0.07 -1.57 0.00 0.00 179.24 178.50 3iok h LEU 1119N 0.49 0.60 -0.72 1.55 3.38 -1.08 -1.61 115.31 117.91 3iok h LEU 1119Ca 0.08 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3iok h LEU 1119Cb 0.62 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3iok h LEU 1119CO 0.04 0.62 0.01 0.00 0.09 0.00 0.00 178.44 179.20 3iok h ALA 1120N 1.01 0.92 -0.52 1.53 0.00 -1.18 0.15 119.26 121.17 3iok h ALA 1120Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3iok h ALA 1120Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3iok h ALA 1120CO -0.01 0.64 0.27 -0.07 0.00 0.00 0.00 179.25 180.08 3iok h LEU 1121N 0.91 0.66 -0.28 0.00 3.38 -1.42 -1.79 115.31 116.78 3iok h LEU 1121Ca 0.17 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3iok h LEU 1121Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3iok h LEU 1121CO 0.03 0.59 0.05 0.03 0.09 0.00 0.00 178.44 179.23 3iok h ARG 1122N 0.69 0.46 -0.55 1.13 3.08 -0.95 -1.84 114.38 116.40 3iok h ARG 1122Ca 0.18 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3iok h ARG 1122Cb 0.09 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3iok h ARG 1122CO -0.03 0.57 0.20 0.28 -1.07 0.00 0.00 179.97 179.92 3iok h VAL 1123N 0.29 1.23 -0.06 2.04 2.07 -0.98 -2.04 116.25 118.80 3iok h VAL 1123Ca 0.09 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3iok h VAL 1123Cb 0.32 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3iok h VAL 1123CO 0.00 0.28 -0.19 0.44 0.02 0.00 0.00 177.57 178.13 3iok h ASP 1124N 0.76 0.09 -0.33 0.57 3.32 -1.26 -1.93 116.42 117.65 3iok h ASP 1124Ca 0.18 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 3iok h ASP 1124Cb 0.24 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3iok h ASP 1124CO -0.01 0.29 -0.09 -0.61 -1.72 0.00 0.00 179.24 177.10 3iok h GLN 1125N 0.09 0.64 -0.18 3.56 5.75 -0.94 -2.00 115.11 122.02 3iok h GLN 1125Ca 0.02 -0.25 0.04 0.00 -0.15 0.00 0.00 58.65 58.31 3iok h GLN 1125Cb 0.39 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.86 3iok h GLN 1125CO 0.03 0.82 -0.08 0.82 -2.65 0.00 0.00 178.83 177.76 3iok h ILE 1126N 0.42 0.73 -0.69 2.39 1.08 -1.02 -0.87 117.51 119.55 3iok h ILE 1126Ca 0.08 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.61 3iok h ILE 1126Cb 0.59 0.73 -0.05 0.00 -3.07 0.00 0.00 36.82 35.01 3iok h ILE 1126CO 0.03 0.00 0.40 0.03 -0.69 0.00 0.00 178.15 177.92 3iok h ARG 1127N -0.06 0.72 -0.66 2.37 3.08 -1.36 -1.52 114.38 116.94 3iok h ARG 1127Ca 0.10 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3iok h ARG 1127Cb 0.21 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3iok h ARG 1127CO -0.22 0.48 0.34 0.22 -1.07 0.00 0.00 179.97 179.72 3iok h ASP 1128N 0.74 0.84 -0.96 7.04 -0.00 -1.05 -2.80 116.42 120.23 3iok h ASP 1128Ca 0.30 -0.11 0.00 0.00 -0.00 0.00 0.00 57.03 57.22 3iok h ASP 1128Cb 0.15 -0.22 -0.05 0.00 -0.00 0.00 0.00 39.33 39.22 3iok h ASP 1128CO -0.17 0.72 0.61 0.78 -0.00 0.00 0.00 179.24 181.18 3iok h ASN 1129N 0.91 1.12 0.00 2.28 -0.26 -0.63 -3.51 115.58 115.49 3iok h ASN 1129Ca 0.23 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 3iok h ASN 1129Cb 0.08 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.05 3iok h ASN 1129CO -0.03 0.83 0.00 0.23 -1.06 0.00 0.00 177.43 177.40